SCHEMBL3216865

SCHEMBL3216865

CCC(CC)c1ccc(OC)c2nc(Oc3ccc(C(F)(F)F)cc3N(C)C)n(C)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.42
DHFR P00374 1/20 0.35
CACNA1D Q01668 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
PDE2A O00408 1/20 0.31
CNR2 P34972 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
SCHEMBL3214026 0.85 CRHR1 (0.51) CRHR1ALDH1A1
SCHEMBL3199484 0.78 CRHR1 (0.62) CRHR1
SCHEMBL3205469 0.78 CRHR1 (0.45) CRHR1KDM4EALDH1A1HPGDTSHR
SCHEMBL3199522 0.77 CRHR1 (0.51) CRHR1DHFRKDM4EALDH1A1HPGD
SCHEMBL3217975 0.77 CRHR1 (0.45) CRHR1
SCHEMBL3199444 0.77 CRHR1 (0.40) CRHR1
SCHEMBL3205326 0.77 CRHR1 (0.57) CRHR1
SCHEMBL3210548 0.76 CRHR1 (0.43) CRHR1ALDH1A1PDE2A
SCHEMBL3213993 0.75 CRHR1 (0.48) CRHR1
SCHEMBL3199789 0.74 CRHR1 (0.50) 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 5 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 claimed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US 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 4/4885DHFR 1329/4885CACNA1D 1868/4885

“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.