SCHEMBL3209738

SCHEMBL3209738

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.43
CASR P41180 3/20 0.34
GRM2 Q14416 4/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2085742 0.85 CRHR1 (0.56) CRHR1CASRSMN1; SMN2
SCHEMBL2085121 0.84 CRHR1 (0.49) CRHR1CASRSMN1; SMN2
SCHEMBL3207662 0.80 CASR (0.44) CRHR1CASR
SCHEMBL3210010 0.80 CRHR1 (0.44) CRHR1ALDH1A1
SCHEMBL2085909 0.80 CRHR1 (0.50) CRHR1CASRALDH1A1
SCHEMBL2085396 0.80 CRHR1 (0.41) CRHR1CASR
SCHEMBL2084151 0.79 CRHR1 (0.47) CRHR1ALDH1A1HPGD
SCHEMBL2086149 0.75 CRHR1 (0.42) CRHR1ALDH1A1SMN1; SMN2
SCHEMBL2084814 0.74 CRHR1 (0.38) CRHR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3202897 0.73 CRHR1 (0.83) CRHR1CASRHPGD

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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO 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 CRHR1 4/4885CASR 524/4885GRM2 428/4885

“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.