SCHEMBL2190779

SCHEMBL2190779

CCc1cc(C#N)ccc1Nc1nc(C)cc(-n2ccc(N3CCN(Cc4ccc(OC)cc4)C3=O)n2)c1CCO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.43
HDAC1 Q13547 1/20 0.34
PIK3CG P48736 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RX7 Q99572 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2192531 0.94 CRHR1 (0.40) CRHR1HDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2194391 0.91 CRHR1 (0.43) CRHR1HDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2193977 0.90 CRHR1 (0.40) CRHR1HDAC1
SCHEMBL2189534 0.90 CRHR1 (0.46) CRHR1HDAC1P2RX7
SCHEMBL2189061 0.85 CRHR1 (0.42) CRHR1HDAC1KDM4EALDH1A1HPGD
SCHEMBL2191084 0.84 CRHR1 (0.45) CRHR1HDAC1PIK3CGSMN1; SMN2KDM4E
SCHEMBL2191943 0.83 CRHR1 (0.38) CRHR1HDAC1P2RX7
SCHEMBL2190760 0.83 CRHR1 (0.42) CRHR1HDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2190727 0.83 CRHR1 (0.43) CRHR1P2RX7
SCHEMBL2192423 0.83 CRHR1 (0.39) CRHR1HDAC1P2RX7

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 595/4885PIK3CG 4400/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 CRHR1 3/4885HDAC1 1114/4885PIK3CG 4272/4885

“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.