SCHEMBL2190344

SCHEMBL2190344

COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Nc5ccc(-n6cccn6)cc5OC)c4CCO)n3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.44
CHRM1 P11229 1/20 0.38
HDAC1 Q13547 1/20 0.36
GHSR Q92847 1/20 0.35
PKM P14618 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KLKB1 P03952 1/20 0.33
IGF1R P08069 1/20 0.33
ROS1 P08922 2/20 0.33
ALK Q9UM73 2/20 0.33
RORC P51449 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL2192396 0.94 CRHR1 (0.42) CRHR1CHRM1HDAC1GHSRPKM
SCHEMBL2192196 0.90 CRHR1 (0.41) CRHR1CHRM1HDAC1PKMIGF1R
SCHEMBL2193116 0.86 CRHR1 (0.39) CRHR1CHRM1HDAC1PKMKLKB1
SCHEMBL2190760 0.85 CRHR1 (0.42) CRHR1HDAC1
SCHEMBL2191084 0.83 CRHR1 (0.45) CRHR1HDAC1PKM
SCHEMBL2189061 0.82 CRHR1 (0.42) CRHR1HDAC1
SCHEMBL2190727 0.82 CRHR1 (0.43) CRHR1
SCHEMBL2192531 0.82 CRHR1 (0.40) CRHR1HDAC1
SCHEMBL2192423 0.81 CRHR1 (0.39) CRHR1HDAC1
SCHEMBL3281376 0.81 CRHR1 (0.40) 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 2/4885CHRM1 403/4885HDAC1 595/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 CRHR1 3/4885CHRM1 272/4885HDAC1 1114/4885

“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.