SCHEMBL3281376

SCHEMBL3281376

COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Nc5ccc(Cl)cc5Cl)c4CCCO)n3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
P2RX7 Q99572 3/20 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
SCHEMBL3276853 0.89 CRHR1 (0.37) CRHR1ALDH1A1KDM4EHPGDHTT
SCHEMBL3269600 0.85 CRHR1 (0.46) CRHR1ALDH1A1HDAC1SMN1; SMN2CYP1A2
SCHEMBL2191084 0.84 CRHR1 (0.45) CRHR1ALDH1A1KDM4EHDAC1SMN1; SMN2
SCHEMBL2189061 0.84 CRHR1 (0.42) CRHR1ALDH1A1KDM4EHPGDHDAC1
SCHEMBL2192531 0.83 CRHR1 (0.40) CRHR1ALDH1A1KDM4EHPGDHDAC1
SCHEMBL2190727 0.83 CRHR1 (0.43) CRHR1P2RX7
SCHEMBL2190760 0.83 CRHR1 (0.42) CRHR1ALDH1A1KDM4EHPGDHDAC1
SCHEMBL2192423 0.83 CRHR1 (0.39) CRHR1HDAC1P2RX7
SCHEMBL2190779 0.82 CRHR1 (0.43) CRHR1ALDH1A1KDM4EHPGDHDAC1
SCHEMBL2192396 0.82 CRHR1 (0.42) 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 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 1/4885ALDH1A1 3578/4885KDM4E 3605/4885

“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.