SCHEMBL6605977

SCHEMBL6605977

CN1C(=O)CCc2cc(OCC(F)(F)F)c(C=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.38
CYP11B2 P19099 14/20 0.38
CYP19A1 P11511 3/20 0.38
CYP3A4 P08684 2/20 0.38
TRIM24 O15164 2/20 0.35
BRD4 O60885 1/20 0.35
RXRA P19793 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6073663 0.85 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP3A4TRIM24
SCHEMBL4156212 0.80 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP3A4TRIM24
SCHEMBL6608644 0.79 CYP11B2 (0.37) CYP11B1CYP11B2CYP19A1CYP3A4TRIM24
SCHEMBL6609493 0.78 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CYP3A4TRIM24
SCHEMBL6073571 0.76 CYP11B2 (0.47) CYP11B1CYP11B2CYP19A1CYP3A4TRIM24
SCHEMBL6605512 0.75 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP3A4TRIM24
SCHEMBL6074168 0.74 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1CYP3A4TRIM24
SCHEMBL7598773 0.74 GABRG2 (0.50) CYP11B1CYP11B2CYP19A1TRIM24CYP1A2
SCHEMBL6604393 0.73 ALDH1A1 (0.39) BRD4
SCHEMBL6603785 0.73 ALDH1A1 (0.47) CYP11B1CYP11B2CYP19A1CYP3A4TRIM24

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 10 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
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.