SCHEMBL6637641

SCHEMBL6637641

NCc1cnccc1-c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.65
LIMK1 P53667 8/20 0.49
PNMT P11086 2/20 0.47
AOC1 P19801 2/20 0.43
AOC3 Q16853 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
KCNA5 P22460 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL7649636 0.83 DPP4 (0.46) DPP4LIMK1KCNA5MAOAMAOB
SCHEMBL12097530 0.79 CYP2E1 (0.47) DPP4AOC1AOC3LOXL2CSNK2A2
SCHEMBL6862516 0.79 DPP4 (1.00) DPP4PNMTTAAR1CSNK2A2CSNK2B
SCHEMBL13212635 0.77 DPP4 (0.59) DPP4AOC1AOC3LOXL2KCNA5
SCHEMBL6635250 0.77 LIMK1 (0.56) DPP4LIMK1MAOAMAOB
SCHEMBL27958569 0.75 LIMK1 (0.40) DPP4LIMK1KCNA5MAOAMAOB
SCHEMBL2947499 0.75 LIMK1 (0.54) LIMK1MAOAMAOB
SCHEMBL4347118 0.75
SCHEMBL1869744 0.75 DPP4 (0.58) DPP4PNMTLOXL2DPP8TAAR1
SCHEMBL12097666 0.74 LOXL2 (0.68) AOC1AOC3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385022-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2019-08-20 US disclosed
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2015-06-04 US disclosed
EP-2681194-B1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8987307-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2015-03-24 US disclosed
EP-2681194-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP disclosed
US-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2012-09-13 US disclosed
WO-2012117000-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO disclosed
EP-1394150-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 EP disclosed
US-6479483-B2 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 EP 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 (4 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-10385022-B2 3-amino-pyridines as GPBAR1 agonists GPBAR1, ADRA1B, GPR119 DPP4 567/4885LIMK1 4228/4885PNMT 1366/4885
US-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 DPP4 567/4885LIMK1 4228/4885PNMT 1366/4885
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 DPP4 567/4885LIMK1 4228/4885PNMT 1366/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS DPP4 4729/4885LIMK1 4556/4885PNMT 663/4885

“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.