SCHEMBL3137908

SCHEMBL3137908

CN(C(=O)c1cccnc1Oc1cc(Cl)ccc1Cl)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.72
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MDM2 Q00987 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LIPE Q05469 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3146348 0.87 GPBAR1 (0.70) GPBAR1CYP3A4CYP2C9RAB9AKMT2A
SCHEMBL3141314 0.87 GPBAR1 (0.60) GPBAR1POLBCYP3A4CYP2C9RAB9A
SCHEMBL3142853 0.86 GPBAR1 (0.54) GPBAR1POLBCYP3A4CYP2C9RAB9A
SCHEMBL3145081 0.85 TSHR (0.58) GPBAR1CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL3135605 0.85 GPBAR1 (0.74) GPBAR1CYP3A4CYP2C9RAB9ANPC1
SCHEMBL3150474 0.85 GPBAR1 (0.63) GPBAR1POLBCYP3A4CYP2C9RAB9A
SCHEMBL3145869 0.85 GPBAR1 (0.57) GPBAR1POLBCYP3A4CYP2C9RAB9A
SCHEMBL3142446 0.84 GPBAR1 (0.59) GPBAR1POLBCYP3A4CYP2C9RAB9A
SCHEMBL3142750 0.84 GPBAR1 (0.74) GPBAR1POLBCYP3A4CYP2C9RAB9A
SCHEMBL3146859 0.84 GPBAR1 (0.59) GPBAR1POLBCYP3A4CYP2C9RAB9A

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 9 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
WO-2010049302-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO 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 1/4885POLB 2406/4885CYP3A4 1330/4885

“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.