SCHEMBL6608635

SCHEMBL6608635

COc1ccc2c(C(F)(F)F)cc(=O)n(C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.47
MAOA P21397 2/20 0.46
DYRK1A Q13627 1/20 0.46
PGR P06401 5/20 0.44
ALDH1A1 P00352 3/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.43
GRM2 Q14416 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13974158 0.81 HASPIN (0.48) ARDYRK1AALDH1A1EPHX2KDM4E
SCHEMBL392780 0.80 NQO2 (0.57) MAOADYRK1AALDH1A1KDM4EGLA
SCHEMBL30507409 0.78 ALDH1A1 (0.59) MAOADYRK1AALDH1A1KDM4EGLA
SCHEMBL31331699 0.78 AR (0.53) ARPGRALDH1A1KDM4EGLA
SCHEMBL28513249 0.78 ALDH1A1 (0.46) MAOADYRK1AALDH1A1KDM4EGLA
SCHEMBL30507425 0.78 ALDH1A1 (0.46) MAOADYRK1AALDH1A1KDM4EGLA
SCHEMBL8184169 0.78 ALDH1A1 (0.59) MAOADYRK1AALDH1A1KDM4EGLA
SCHEMBL29976613 0.78 EPHX2 (0.49) MAOADYRK1AALDH1A1EPHX2KDM4E
SCHEMBL8179639 0.77 ALDH1A1 (0.46) MAOADYRK1AALDH1A1KDM4EGLA
SCHEMBL28444468 0.77 AR (0.60) ARMAOA

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-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

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 AR 2195/4885MAOA 1034/4885DYRK1A 935/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 AR 2380/4885MAOA 712/4885DYRK1A 3413/4885

“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.