SCHEMBL6310460

SCHEMBL6310460

Nc1cccc(Sc2ccc(C(=O)NC3CC4CCN(CC4)C3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.54
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
EZH2 Q15910 1/20 0.42
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL6303477 0.95 CHRNA7 (0.49) CHRNA7DRD2DRD4EZH2DDB1
SCHEMBL6303203 0.95 CHRNA7 (0.58) CHRNA7DRD2DRD4EZH2DDB1
SCHEMBL6303198 0.95 CHRNA7 (0.58) CHRNA7DRD2DRD4EZH2DDB1
SCHEMBL6303351 0.89 CHRNA7 (0.57) CHRNA7DRD2DRD4EZH2DDB1
SCHEMBL6303801 0.88 CHRNA7 (0.53) CHRNA7EZH2HTR3EHTR3BHTR3A
SCHEMBL6303434 0.88 CHRNA7 (0.55) CHRNA7EZH2MGLL
SCHEMBL6305169 0.88 CHRNA7 (0.68) CHRNA7DRD2DRD4EZH2HTR3E
SCHEMBL6311620 0.87 CHRNA7 (0.60) CHRNA7EZH2HTR3EHTR3BHTR3A
SCHEMBL6305755 0.86 CHRNA7 (0.53) CHRNA7DRD2DRD4EZH2SMYD3
SCHEMBL6306498 0.85 CHRNA7 (0.51) CHRNA7DRD2DRD4EZH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885DRD2 3977/4885DRD4 3850/4885

“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.