SCHEMBL6776086

SCHEMBL6776086

Nc1c(Cl)cc(C(=O)OCC2CCN(CCCn3nc(Cl)ccc3=O)CC2)c2c1CCO2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.58
HTR3A P46098 4/20 0.58
HTR2C P28335 4/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
ADRA2C P18825 4/20 0.57
ADRA1A P35348 4/20 0.57
HTR1D P28221 3/20 0.57
HTR2B P41595 3/20 0.57
ADRA2A P08913 2/20 0.57
HTR2A P28223 2/20 0.57
LMNA P02545 1/20 0.57
THRB P10828 1/20 0.57
HRH1 P35367 1/20 0.57

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
SCHEMBL8501132 0.89 HTR4 (0.51) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL7360905 0.84 HTR4 (0.81) HTR4HTR3AHTR2CHTR3EHTR3B
Hydrochloric Acid SCHEMBL6776352 0.83 HTR2C (0.82) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL6771956 0.81 HTR4 (0.63) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL7888555 0.80 HTR4 (0.60) HTR4HTR3AHTR2CHTR3EHTR3B
Hydrochloric Acid SCHEMBL7248493 0.78 HTR2C (0.79) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL7052002 0.75 HTR4 (0.56) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL8686062 0.75 HTR4 (0.52) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL8828815 0.75 HTR4 (0.52) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL8828822 0.75 HTR4 (0.52) HTR4HTR3AHTR2CHTR3EHTR3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800628-B2 SUCH AS (1-(2-((3-METHYL-2-PYRAZINYL)AMINO)ETHYL)-4-PIPERIDINYL)-METHYL-4-AMINO-5 -CHLORO-2,3-DIHYDRO-7-BENZOFURANCARBOXYLATE JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-05 US disclosed
US-20030153573-A1 Novel N-substituted 4-((-4'-aminobenzoyl)-oxymethyl)-piperidines having gastric prokinetic properties BOSMANS JEAN-PAUL RENE MARIE (BE) 2003-08-14 US disclosed
EP-0885190-B1 N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA NV (BE) 2003-05-07 EP disclosed
US-6509339-B2 Gastrointestinal disorders; cardiovascular disorders JANSSEN PHARMACEUTICA N.V. (BE) 2003-01-21 US disclosed
US-20020042430-A1 Novel esters of 1, 4-disubstituted piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE (BE) 2002-04-11 US disclosed
US-6291481-B1 CONDITIONS RELATED TO A HAMPERED OR IMPAIRED GASTRIC EMPTYING AND MORE GENERALLY TO TREAT CONDITIONS RELATED TO A HAMPERED OR IMPAIRED GASTROINTESTINAL TRANSIT. JANSSEN PHARMACEUTICA, N.V. (BE) 2001-09-18 US 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 (2 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-20020042430-A1 Novel esters of 1, 4-disubstituted piperidine derivatives CBR1, ALK, ESRRA HTR4 388/4885HTR3A 376/4885HTR2C 206/4885
US-20030153573-A1 Novel N-substituted 4-((-4'-aminobenzoyl)-oxymethyl)-piperidines having gastric prokinetic properties GIPR, CRHR1, GRPR HTR4 65/4885HTR3A 155/4885HTR2C 76/4885

“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.