SCHEMBL3207662

SCHEMBL3207662

CCC(CC)c1ccc(Br)c2nc(Cl)n(CCN(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.44
CRHR1 P34998 5/20 0.34
TOP2A P11388 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
SCHEMBL3209738 0.80 CRHR1 (0.43) CASRCRHR1
SCHEMBL3214523 0.77 CRHR1 (0.62) CASRCRHR1
SCHEMBL3210842 0.72 CRHR1 (0.46) CASRCRHR1
SCHEMBL3747677 0.67 CRHR1 (0.43) CRHR1
SCHEMBL2085742 0.66 CRHR1 (0.56) CASRCRHR1
SCHEMBL3809137 0.66 CRHR1 (0.43) CRHR1
SCHEMBL2085121 0.65 CRHR1 (0.49) CASRCRHR1
SCHEMBL3212465 0.65 CRHR1 (0.46) CRHR1
SCHEMBL3724191 0.64 CRHR1 (0.47) CRHR1
SCHEMBL3285073 0.63 CRHR1 (0.42) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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 (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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 CASR 524/4885CRHR1 4/4885TOP2A 4096/4885

“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.