SCHEMBL10276984

SCHEMBL10276984

CC(C)(C)OC(=O)N1CCC(NCc2ncc(C(C)(C)c3ccc(Cl)c(Cl)c3)n2-c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
CCNT1 O60563 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.42
DGAT2 Q96PD7 2/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL601953 0.87 GPBAR1 (0.44) TP53GPBAR1THRBPOLBGPR119
SCHEMBL601727 0.85 OPRL1 (0.43) GPBAR1
SCHEMBL601054 0.79 GPBAR1 (0.51) GPBAR1
SCHEMBL3792941 0.78 GPBAR1 (0.42) TP53GPBAR1GPR119
SCHEMBL10227887 0.76 GPBAR1 (0.46) TP53GPBAR1POLB
SCHEMBL603761 0.75 GPBAR1 (0.52) GPBAR1
SCHEMBL602418 0.75 GPBAR1 (0.52) GPBAR1
SCHEMBL601541 0.74 GPBAR1 (0.53) GPBAR1
SCHEMBL603336 0.72 GPBAR1 (0.46) GPBAR1
SCHEMBL602033 0.72 GPBAR1 (0.43) GPBAR1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 US 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-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR TP53 4675/4885CCNT1 3915/4885GPBAR1 8/4885

“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.