SCHEMBL3281391

SCHEMBL3281391

COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Cl)c4CCCO[Si](C)(C)C(C)(C)C)n3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.42
HDAC1 Q13547 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
DUT P33316 1/20 0.32
ROCK2 O75116 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 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
SCHEMBL2189300 0.96 CRHR1 (0.43) CRHR1HDAC1NPSR1ROCK2ALDH1A1
SCHEMBL3269600 0.87 CRHR1 (0.46) CRHR1HDAC1NPSR1ALDH1A1CYP1A2
SCHEMBL3276853 0.87 CRHR1 (0.37) CRHR1HDAC1ALDH1A1CYP1A2CYP2C19
SCHEMBL2192528 0.86 CRHR1 (0.42) CRHR1HDAC1NPSR1ROCK2ALDH1A1
SCHEMBL2192057 0.86 CRHR1 (0.47) CRHR1HDAC1NPSR1ALDH1A1CYP1A2
SCHEMBL5571630 0.85 CRHR1 (0.46) CRHR1HDAC1NPSR1ALDH1A1CYP1A2
SCHEMBL2192347 0.84 CRHR1 (0.48) CRHR1HDAC1NPSR1ALDH1A1CYP1A2
SCHEMBL2192416 0.83 CRHR1 (0.39) CRHR1HDAC1ROCK2ALDH1A1CYP1A2
SCHEMBL2192145 0.83 CRHR1 (0.47) CRHR1HDAC1NPSR1ALDH1A1CYP1A2
SCHEMBL2191591 0.82 CRHR1 (0.39) CRHR1HDAC1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618107-B1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORK LTD (IE) 2010-06-30 EP disclosed
US-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-01-25 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 (1 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-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR1, NR3C2, CRHR2 CRHR1 1/4885HDAC1 920/4885NPSR1 15/4885

“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.