SCHEMBL5842802

SCHEMBL5842802

CCOC(=O)C(Cc1c(NC(CC)CC)cc(C)nc1Nc1c(C)cc(C)cc1C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.45
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5842790 0.90 CRHR1 (0.44) CRHR1LMNAGAA
SCHEMBL5843400 0.84 CRHR1 (0.46) CRHR1
SCHEMBL5843948 0.83 CRHR1 (0.62) CRHR1
SCHEMBL5843981 0.79 CRHR1 (0.46) CRHR1LMNAGAA
SCHEMBL6303533 0.78 CRHR1 (0.48) CRHR1
SCHEMBL5842983 0.77 CRHR1 (0.47) CRHR1LMNAGAA
SCHEMBL6428479 0.77 CRHR1 (0.38) CRHR1LMNAGAAALDH1A1
SCHEMBL5843895 0.76 CRHR1 (0.46) CRHR1LMNAGAAALDH1A1
SCHEMBL5844341 0.75 CRHR1 (0.59) CRHR1
SCHEMBL5843390 0.73 CRHR1 (0.45) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-6875769-B2 Substituted6,6-hetero-bicyclicderivatives PFIZER INC. (US) 2005-04-05 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-0925298-B1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2004-04-14 EP disclosed
US-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CHEN YUHPYNG L (US) 2003-06-19 US disclosed
EP-0920429-B1 SUBSTITUTED PYRIDO- OR PYRIMIDO-CONTAINING 6,6- OR 6,7-BICYCLIC DERIVATIVES PFIZER (US) 2003-02-19 EP disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-6492520-B1 COMPOUNDS (I) ARE CORTICOTROPIN RELEASING FACTOR (HORMONE) CRF (CRH) ANTAGONISTS. PFIZER INC 2002-12-10 US disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 WO disclosed
EP-0925298-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-30 EP disclosed
EP-0920429-A1 SUBSTITUTED PYRIDO- OR PYRIMIDO-CONTAINING 6,6- OR 6,7-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-09 EP disclosed
WO-1998008846-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 WO disclosed
WO-1998005661-A1 SUBSTITUTED PYRIDO- OR PYRIMIDO-CONTAINING 6,6- OR 6,7-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-02-12 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 (3 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885LMNA 4189/4885GAA 2029/4885
US-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CYP2D6, CYP2B6, CYP2A6 CRHR1 2119/4885LMNA 3247/4885GAA 1100/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885LMNA 4152/4885GAA 1321/4885

“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.