SCHEMBL2193279

SCHEMBL2193279

COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Nc5ccc(C(F)(F)F)cc5C(F)(F)F)c4CCO[Si](C)(C)C(C)(C)C)n3)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.36
HDAC1 Q13547 1/20 0.32
ROCK2 O75116 1/20 0.31
SRPK1 Q96SB4 1/20 0.30

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
SCHEMBL2191211 0.92 CRHR1 (0.41) CRHR1
SCHEMBL2192423 0.90 CRHR1 (0.39) CRHR1HDAC1SRPK1
SCHEMBL2189328 0.89 CRHR1 (0.41) CRHR1
SCHEMBL2191579 0.88 CRHR1 (0.42) CRHR1HDAC1ROCK2
SCHEMBL2191591 0.86 CRHR1 (0.39) CRHR1HDAC1ROCK2
SCHEMBL2192416 0.86 CRHR1 (0.39) CRHR1HDAC1ROCK2
SCHEMBL2191943 0.85 CRHR1 (0.38) CRHR1HDAC1
SCHEMBL2195976 0.85 CRHR1 (0.36) CRHR1HDAC1ROCK2
SCHEMBL2188939 0.85 CRHR1 (0.43) CRHR1
SCHEMBL3276853 0.85 CRHR1 (0.37) CRHR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 EP disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885HDAC1 595/4885ROCK2 4557/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 CRHR1 3/4885HDAC1 1114/4885ROCK2 3703/4885

“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.