SCHEMBL5845333

SCHEMBL5845333

CCC(CC)Oc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.48
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5844195 0.90 CRHR1 (0.49) CRHR1
SCHEMBL5843964 0.87 CRHR1 (0.46) CRHR1
SCHEMBL5844170 0.86 CRHR1 (0.46) CRHR1
SCHEMBL5600278 0.84 CRHR1 (0.59) CRHR1
SCHEMBL5844988 0.82 CRHR1 (0.48) CRHR1
SCHEMBL5787105 0.82 CRHR1 (0.50) CRHR1
SCHEMBL5845661 0.82 CRHR1 (0.41) CRHR1MEN1KMT2A
SCHEMBL5845758 0.81 CRHR1 (0.40) CRHR1
SCHEMBL5844815 0.81 ALDH1A1 (0.41) CRHR1
SCHEMBL5844111 0.81 CRHR1 (0.41) 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 13 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-20050118164-A1 Targeted ligands HERMAN WILLIAM (CA) 2005-06-02 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-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP 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

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 3/4885HSD17B10 2002/4885MEN1 1835/4885
US-20030114671-A1 Substituted6,6-hetero-bicyclicderivatives CYP2D6, CYP2B6, CYP2A6 CRHR1 2119/4885HSD17B10 533/4885MEN1 1562/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885HSD17B10 1489/4885MEN1 814/4885

“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.