SCHEMBL5844541

SCHEMBL5844541

CCC(CC)Nc1nc(C)nc(Nc2c(C)cc(C)cc2C)c1Br

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.50
RAPGEF4 Q8WZA2 1/20 0.38

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
SCHEMBL5844119 0.86 CRHR1 (0.59) CRHR1RAPGEF4
SCHEMBL5845092 0.83 CRHR1 (0.50) CRHR1RAPGEF4
SCHEMBL5844351 0.83 CRHR1 (0.53) CRHR1RAPGEF4
SCHEMBL5845841 0.80 CRHR1 (0.49) CRHR1RAPGEF4
SCHEMBL5843917 0.79 CRHR1 (0.58) CRHR1
SCHEMBL5843388 0.78 CRHR1 (0.48) CRHR1
SCHEMBL5844423 0.77 CRHR1 (0.41) CRHR1
SCHEMBL21447454 0.76 CRHR1 (0.55) CRHR1
SCHEMBL5844341 0.72 CRHR1 (0.59) CRHR1RAPGEF4
SCHEMBL5789078 0.70 CRHR1 (0.50) CRHR1RAPGEF4

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 9 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-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-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 (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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885RAPGEF4 1101/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885RAPGEF4 774/4885

“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.