SCHEMBL3150856

SCHEMBL3150856

COc1ccc(F)cc1N(C)C(=O)c1cccnc1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.61
RAB9A P51151 1/20 0.43
POLB P06746 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAPK8 P45983 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
SCHEMBL3145125 0.93 GPBAR1 (0.64) GPBAR1RAB9APOLBCYP2C9CYP3A4
SCHEMBL3142750 0.90 GPBAR1 (0.74) GPBAR1RAB9APOLBCYP2C9CYP2C19
SCHEMBL3145668 0.89 GPBAR1 (0.60) GPBAR1RAB9APOLBCYP2C9CYP3A4
SCHEMBL3142306 0.88 GPBAR1 (0.53) GPBAR1POLBCYP2C9CYP2C19CYP3A4
SCHEMBL3150474 0.87 GPBAR1 (0.63) GPBAR1RAB9APOLBCYP2C9CYP2C19
SCHEMBL3142383 0.85 GPBAR1 (0.65) GPBAR1CYP2C9CYP2C19CYP3A4SLC6A2
SCHEMBL3145164 0.85 GPBAR1 (0.58) GPBAR1RAB9APOLBCYP2C9CYP2C19
SCHEMBL3141314 0.84 GPBAR1 (0.60) GPBAR1RAB9APOLBCYP2C9CYP2C19
SCHEMBL3146859 0.84 GPBAR1 (0.59) GPBAR1RAB9APOLBCYP2C9CYP2C19
SCHEMBL2217406 0.83 GPBAR1 (0.69) GPBAR1RAB9ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US claimed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 US claimed
US-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 US disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 US disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 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-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES GPBAR1, GPR119, GLP1R GPBAR1 1/4885RAB9A 2746/4885POLB 2406/4885

“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.