SCHEMBL6603783

SCHEMBL6603783

COc1ccc2c(c1)N(C)C(=S)CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.46
DRD5 P21918 8/20 0.46
DRD2 P14416 7/20 0.46
DRD3 P35462 7/20 0.46
DRD4 P21917 5/20 0.42
SIGMAR1 Q99720 2/20 0.41
BCL2 P10415 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KYAT1 Q16773 1/20 0.38
KYAT3 Q6YP21 1/20 0.38
AADAT Q8N5Z0 1/20 0.38

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
SCHEMBL6603135 0.87 NOTUM (0.48) DRD1DRD5DRD2DRD3DRD4
SCHEMBL8999126 0.85 DRD1 (0.47) DRD1DRD5DRD2DRD3DRD4
SCHEMBL6073593 0.80 CYP11B1 (0.52) DRD1DRD5DRD2DRD3LMNA
SCHEMBL8998856 0.75 DRD1 (0.47) DRD1DRD5DRD2DRD3DRD4
SCHEMBL15964822 0.74 LMNA (0.49) DRD1DRD5DRD2DRD3DRD4
SCHEMBL10193187 0.74 DRD1 (0.59) DRD1DRD5DRD2DRD3DRD4
SCHEMBL885383 0.72 DRD2 (0.42) DRD1DRD5DRD2DRD3DRD4
SCHEMBL24316050 0.71 DRD1 (0.55) DRD1DRD5DRD2DRD3DRD4
SCHEMBL6074566 0.71 HTT (0.53) DRD1DRD5DRD2DRD3DRD4
SCHEMBL12905307 0.71 DRD1 (0.56) DRD1DRD5DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US disclosed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
US-6288225-B1 Substituted benzolactam compounds as substance P antagonists PFIZER INC 2001-09-11 US disclosed
EP-0840732-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2001-03-07 EP disclosed
US-6180647-B1 GASTROINTESTINAL DISORDERS; NERVOUS SYSTEM DISORDERS PFIZER INC. 2001-01-30 US disclosed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO disclosed
EP-0840732-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1998-05-13 EP disclosed
WO-1997003066-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1997-01-30 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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 DRD1 416/4885DRD5 1296/4885DRD2 367/4885

“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.