SCHEMBL2193116

SCHEMBL2193116

COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Nc5ccc(-n6cccn6)cc5C)c4CCO[Si](C)(C)C(C)(C)C)n3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.39
HDAC1 Q13547 1/20 0.33
PKM P14618 1/20 0.32
CHRM1 P11229 1/20 0.32
P2RX7 Q99572 4/20 0.31
ADORA2A P29274 1/20 0.31
KLKB1 P03952 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
SCHEMBL2192196 0.95 CRHR1 (0.41) CRHR1HDAC1PKMCHRM1ADORA2A
SCHEMBL2192396 0.90 CRHR1 (0.42) CRHR1HDAC1PKMCHRM1P2RX7
SCHEMBL2189328 0.88 CRHR1 (0.41) CRHR1P2RX7
SCHEMBL2191943 0.88 CRHR1 (0.38) CRHR1HDAC1P2RX7
SCHEMBL2191591 0.87 CRHR1 (0.39) CRHR1HDAC1P2RX7
SCHEMBL2190344 0.86 CRHR1 (0.44) CRHR1HDAC1PKMCHRM1KLKB1
SCHEMBL2191579 0.85 CRHR1 (0.42) CRHR1HDAC1PKMP2RX7
SCHEMBL2192416 0.84 CRHR1 (0.39) CRHR1HDAC1
SCHEMBL2193279 0.84 CRHR1 (0.36) CRHR1HDAC1
SCHEMBL2195976 0.84 CRHR1 (0.36) 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 3 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
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 595/4885PKM 2146/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 CRHR1 3/4885HDAC1 1114/4885PKM 2307/4885

“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.