SCHEMBL6276809

SCHEMBL6276809

COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(C(=O)C2CCCO2)C2CCNCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 13/20 0.61
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD4 P21917 1/20 0.50
ACHE P22303 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR3A P46098 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7260329 1.00 HTR4 (0.61) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL7261606 1.00 HTR4 (0.61) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
Fumaric Acid SCHEMBL7264897 0.96 HTR4 (0.56) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
Fumaric Acid SCHEMBL6580490 0.96 HTR4 (0.56) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
Maleic Acid SCHEMBL7260321 0.96 HTR4 (0.56) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6583375 0.87 HTR4 (0.64) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6583145 0.87 HTR4 (0.73) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6586524 0.86 HTR4 (0.71) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6580662 0.86 HTR4 (0.61) HTR4CYP1A2CYP3A4ADRA2ACYP2D6
SCHEMBL6774576 0.85 HTR4 (0.62) HTR4CYP1A2CYP3A4ADRA2ACYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362857-B1 (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders DAINIPPON PHARMACEUTICAL CO (JP) 2004-08-11 EP claimed
WO-2003097638-A1 (S)-4-AMINO-5-CHLORO-2-METHOXY-N-[1-[1-(2-TETRAHYDROFURYLCARBONYL)-4-PIPERIDINYLMETHYL]-4-PIPERIDINYL]BENZAMIDE, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-27 WO claimed
US-20030216433-A1 (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US claimed
EP-1362857-A1 (S)-4-amino-5-chloro-2-methoxy-n-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinymethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders Dainippon Pharmaceutical Co., Ltd. (JP) 2003-11-19 EP claimed
CN-1653063-A (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofurylcarbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, and method for producing the same, pharmaceutical composition containing the same and i DAINIPPON PHARMACEUTICAL CO (JP) 2005-08-10 CN disclosed
CN-1653063-A (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofurylcarbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, and method for producing the same, pharmaceutical composition containing the same and i DAINIPPON PHARMACEUTICAL CO (JP) 2005-08-10 CN disclosed
JP-2005170933-A PHARMACEUTICAL COMPRISING (S)-4-AMINO-5-CHLORO-2-METHOXY-N-[1-[1-(2-TETRAHYDROFURYLCARBONYL)-4-PIPERIDINYLMETHYL]-4-PIPERIDINYL]BENZAMIDE DAINIPPON PHARMACEUT CO LTD 2005-06-30 JP disclosed
JP-2005170933-A PHARMACEUTICAL COMPRISING (S)-4-AMINO-5-CHLORO-2-METHOXY-N-[1-[1-(2-TETRAHYDROFURYLCARBONYL)-4-PIPERIDINYLMETHYL]-4-PIPERIDINYL]BENZAMIDE DAINIPPON PHARMACEUT CO LTD 2005-06-30 JP disclosed
EP-1362857-B1 (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders DAINIPPON PHARMACEUTICAL CO (JP) 2004-08-11 EP disclosed
EP-1362857-B1 (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders DAINIPPON PHARMACEUTICAL CO (JP) 2004-08-11 EP disclosed
US-6696468-B2 GASTROINTESTINAL MOTILITY ENHANCER OR PROKINETIC AGENT; AFFINITY FOR 5-HT4 RECEPTOR; REDUCED SIDE EFFECTS TO HEART OR CENTRAL NERVOUS SYSTEM DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-02-24 US disclosed
US-6696468-B2 GASTROINTESTINAL MOTILITY ENHANCER OR PROKINETIC AGENT; AFFINITY FOR 5-HT4 RECEPTOR; REDUCED SIDE EFFECTS TO HEART OR CENTRAL NERVOUS SYSTEM DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-02-24 US disclosed
JP-2004043453-A (S)-4-AMINO-5-CHLORO-2-METHOXY-N-[1-[1-(2-TETRAHYDROFURYLCARBONYL)-4-PIPERIDINYLMETHYL]-4-PIPERIDINYL]BENZAMIDE, AND METHOD FOR PRODUCING THE SAME, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND INTERMEDIATE OF THE COMPOUND DAINIPPON PHARMACEUT CO LTD 2004-02-12 JP disclosed
WO-2003097638-A1 (S)-4-AMINO-5-CHLORO-2-METHOXY-N-[1-[1-(2-TETRAHYDROFURYLCARBONYL)-4-PIPERIDINYLMETHYL]-4-PIPERIDINYL]BENZAMIDE, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-27 WO disclosed
WO-2003097638-A1 (S)-4-AMINO-5-CHLORO-2-METHOXY-N-[1-[1-(2-TETRAHYDROFURYLCARBONYL)-4-PIPERIDINYLMETHYL]-4-PIPERIDINYL]BENZAMIDE, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-27 WO disclosed
WO-2003097638-A1 (S)-4-AMINO-5-CHLORO-2-METHOXY-N-[1-[1-(2-TETRAHYDROFURYLCARBONYL)-4-PIPERIDINYLMETHYL]-4-PIPERIDINYL]BENZAMIDE, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-27 WO disclosed
US-20030216433-A1 (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
US-20030216433-A1 (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
EP-1362857-A1 (S)-4-amino-5-chloro-2-methoxy-n-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinymethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders Dainippon Pharmaceutical Co., Ltd. (JP) 2003-11-19 EP disclosed
EP-1362857-A1 (S)-4-amino-5-chloro-2-methoxy-n-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinymethyl]-4-piperidinyl]benzamide for treating gastrointestinal motility disorders Dainippon Pharmaceutical Co., Ltd. (JP) 2003-11-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030216433-A1 (S)-4-amino-5-chloro-2-methoxy-N-[1-[1-(2-tetrahydrofuryl-carbonyl)-4-piperidinylmethyl]-4-piperidinyl]benzamide, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor GIPR, MLNR, HTR5A HTR4 4/4885CYP1A2 1125/4885CYP3A4 458/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.