SCHEMBL3222047

SCHEMBL3222047

CCC(CC)c1ccc(OC)c2nc(Oc3c(C)cc(OC(F)(F)F)cc3CN(C)C)n(C)c12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.47
NMT1 P30419 1/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A2 P23975 5/20 0.33
SLC6A3 Q01959 3/20 0.33

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
Hydrochloric Acid SCHEMBL3222042 0.99 CRHR1 (0.46) CRHR1NMT1SLC6A4SLC6A2SLC6A3
SCHEMBL3199444 0.90 CRHR1 (0.40) CRHR1NMT1SLC6A4SLC6A2SLC6A3
SCHEMBL3209815 0.89 CRHR1 (0.61) CRHR1NMT1SLC6A4SLC6A2SLC6A3
SCHEMBL3207734 0.80 CRHR1 (0.41) CRHR1
SCHEMBL3199553 0.79 CRHR1 (0.60) CRHR1SLC6A4SLC6A2SLC6A3
SCHEMBL3210548 0.79 CRHR1 (0.43) CRHR1
SCHEMBL3213993 0.78 CRHR1 (0.48) CRHR1
SCHEMBL3199789 0.78 CRHR1 (0.50) CRHR1SLC6A4SLC6A2SLC6A3
SCHEMBL2056027 0.74 CRHR1 (0.81) CRHR1
SCHEMBL2056022 0.73 CRHR1 (0.67) 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 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 4/4885NMT1 3874/4885SLC6A4 283/4885

“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.