SCHEMBL12097352

SCHEMBL12097352

COc1cc(F)ccc1-c1ccncc1CN

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 17/20 0.46
KCNH2 Q12809 1/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL12097501 0.84 LOXL2 (0.46) GPBAR1
SCHEMBL12097845 0.84 CYP1A2 (0.46)
SCHEMBL12097552 0.81 LOXL2 (0.45) GPBAR1GRM5
SCHEMBL12098356 0.78 GPBAR1 (0.43) GPBAR1KCNH2GRM5
SCHEMBL12097299 0.78 LOXL2 (0.45) GPBAR1
SCHEMBL12097483 0.77 GPBAR1 (0.46) GPBAR1
SCHEMBL12097396 0.76 P2RX7 (0.44) GPBAR1
SCHEMBL12097354 0.76 GPBAR1 (0.47) GPBAR1KCNH2
SCHEMBL12098015 0.74 LOXL2 (0.44) GPBAR1
SCHEMBL2425944 0.73 GAA (0.46)

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 GPBAR1 1/4885KCNH2 614/4885GRM5 256/4885
US-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 GPBAR1 1/4885KCNH2 614/4885GRM5 256/4885
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 GPBAR1 1/4885KCNH2 614/4885GRM5 256/4885

“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.