SCHEMBL3210757

SCHEMBL3210757

CCC(CC)c1ccc(OC)c2nc(Oc3ccc(C(C)=O)cc3C)n(C)c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.55
TAS1R3 Q7RTX0 5/20 0.39
TAS1R1 Q7RTX1 5/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE5A O76074 1/20 0.35
PDE6C P51160 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3862071 0.83 CRHR1 (0.49) CRHR1TAS1R3TAS1R1SMN1; SMN2
SCHEMBL3868967 0.79 CRHR1 (0.48) CRHR1
SCHEMBL2056027 0.79 CRHR1 (0.81) CRHR1ALDH1A1MAPK1HTTLMNA
SCHEMBL3199284 0.77 CRHR1 (0.84) CRHR1HTT
SCHEMBL3206517 0.75 CRHR1 (0.45) CRHR1
SCHEMBL3217975 0.75 CRHR1 (0.45) CRHR1
SCHEMBL2056029 0.75 CRHR1 (0.53) CRHR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3199522 0.73 CRHR1 (0.51) CRHR1ALDH1A1SMN1; SMN2
SCHEMBL2056028 0.73 CRHR1 (0.81) CRHR1
SCHEMBL3210548 0.72 CRHR1 (0.43) 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 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 4/4885TAS1R3 963/4885TAS1R1 793/4885

“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.