SCHEMBL3207734

SCHEMBL3207734

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.41
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
GRM7 Q14831 1/20 0.32
ACP1 P24666 1/20 0.31
PDE2A O00408 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CTSA P10619 1/20 0.30
ALPL P05186 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
SCHEMBL3199444 0.88 CRHR1 (0.40) CRHR1
SCHEMBL3210548 0.88 CRHR1 (0.43) CRHR1GRM7PDE2AALDH1A1CTSA
SCHEMBL3213993 0.87 CRHR1 (0.48) CRHR1
SCHEMBL3210288 0.81 GRM7 (0.43) CRHR1GRM7ALDH1A1
SCHEMBL3222047 0.80 CRHR1 (0.47) CRHR1
Hydrochloric Acid SCHEMBL3222042 0.80 CRHR1 (0.46) CRHR1
SCHEMBL3199484 0.77 CRHR1 (0.62) CRHR1
SCHEMBL3199522 0.76 CRHR1 (0.51) CRHR1ALDH1A1
SCHEMBL3217975 0.75 CRHR1 (0.45) CRHR1
SCHEMBL3205469 0.75 CRHR1 (0.45) CRHR1ALDH1A1

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 4/4885SCN5A 340/4885SCN9A 1801/4885

“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.