SCHEMBL3216586

SCHEMBL3216586

CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(S(C)(=O)=O)cc3Cl)n(C)c12

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.75
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
PTGS2 P35354 1/20 0.31
ACACB O00763 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
SCHEMBL3202663 0.91 CRHR1 (0.74) CRHR1PTGS2ACACB
SCHEMBL2055981 0.86 CRHR1 (1.00) CRHR1ACACB
SCHEMBL3208206 0.84 CRHR1 (0.81) CRHR1ACACB
SCHEMBL2056007 0.84 CRHR1 (0.92) CRHR1ACACB
SCHEMBL2055983 0.84 CRHR1 (0.80) CRHR1ACACB
SCHEMBL3199637 0.83 CRHR1 (0.79) CRHR1ACACB
SCHEMBL3199284 0.83 CRHR1 (0.84) CRHR1ACACB
SCHEMBL3199610 0.83 CRHR1 (0.84) CRHR1ACACB
SCHEMBL3207503 0.82 CRHR1 (0.78) CRHR1ACACB
SCHEMBL3209932 0.82 CRHR1 (1.00) CRHR1ACACB

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 7 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
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
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 4/4885NR1H2 162/4885NR1H3 194/4885

“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.