SCHEMBL6357136

SCHEMBL6357136

N#Cc1ccc2[nH]cc(C3CCN(C(=O)O)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.58
RORC P51449 1/20 0.55
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
HTR1A P08908 2/20 0.54
DRD1 P21728 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR6 P50406 1/20 0.54

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
SCHEMBL16801495 0.89 KDM4E (0.65) SLC6A4RORCSLC6A2SLC6A3HTR1A
SCHEMBL6383923 0.84 GPR119 (0.53) SLC6A4RORCSLC6A2SLC6A3HTR1A
SCHEMBL6342362 0.83 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL8105892 0.83 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4676594 0.83 SLC6A4 (0.53) SLC6A4RORCSLC6A2SLC6A3
SCHEMBL9093624 0.83 HTR1B (0.66) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4769253 0.81 OPRM1 (0.63) SLC6A4HTR1AHTR1BHTR6
SCHEMBL1121919 0.81 HTR1D (0.68) HTR1AHTR1B
SCHEMBL5340537 0.81 HSD11B1 (0.68) SLC6A4HTR1AHTR1B
SCHEMBL4675436 0.81 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands MERCK PATENT GMBH (DE) 2005-08-11 US disclosed
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands MERCK PATENT GMBH (DE) 2003-04-03 US disclosed
US-6509340-B1 These preparations can be employed as medicaments in human and veterinary medicine. Possible excipients are organic or inorganic substances which are suitable for enteral (e.g. oral) on the central nervous system. MERCK PATENTGESELLSCHAFT (DE) 2003-01-21 US disclosed
CN-1336924-A Amide and urea derivatives as 5-HT reuptake inhibitors and at 5-HT 1B/1D ligands MERCK PATENT GMBH (DE) 2002-02-20 CN 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-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands HTR1B, HTR1D, HTR1A SLC6A4 27/4885RORC 3761/4885SLC6A2 68/4885
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands HTR5A, HTR1B, HTR1A SLC6A4 74/4885RORC 4464/4885SLC6A2 89/4885

“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.