SCHEMBL6605512

SCHEMBL6605512

COc1cc2c(cc1C=O)CCC(=O)N2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.51
CYP11B2 P19099 6/20 0.51
CYP19A1 P11511 5/20 0.51
TRIM24 O15164 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLA1 P09884 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.37

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
SCHEMBL4156212 0.94 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6075049 0.87 ALDH1A1 (0.50) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6603785 0.86 ALDH1A1 (0.47) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6074168 0.85 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6608997 0.84 ALDH1A1 (0.48) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6609493 0.80 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6073663 0.79 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL16431883 0.79 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL12057333 0.78 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4
SCHEMBL6605653 0.78 ALDH1A1 (0.45) CYP11B1CYP11B2CYP19A1TRIM24CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US claimed
JP-2002544128-A 2002-12-24 JP claimed
EP-1175417-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP claimed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO claimed
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
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 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 (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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 CYP11B1 510/4885CYP11B2 487/4885CYP19A1 1658/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 CYP11B1 1239/4885CYP11B2 1586/4885CYP19A1 1067/4885

“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.