SCHEMBL3317488

SCHEMBL3317488

CC(=O)N1CCC(NC(=O)C2CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.61
EPHX1 P07099 4/20 0.61
CYP2D6 P10635 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
CYP3A4 P08684 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL14276927 0.91 EPHX2 (0.70) EPHX2EPHX1CYP2D6HRH3CYP3A4
SCHEMBL13207475 0.84 EPHX2 (0.45) EPHX2EPHX1CYP2D6HRH3
SCHEMBL16888175 0.83 EPHX2 (0.72) EPHX2EPHX1CYP2D6HRH3MAPK1
SCHEMBL16254584 0.82 POLB (0.47) EPHX2EPHX1CYP2D6HRH3MAPK1
SCHEMBL21738155 0.82 MAPK1 (0.49) EPHX2EPHX1CYP2D6HRH3CYP3A4
SCHEMBL9893075 0.82 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL1911390 0.81 EPHX2 (0.53) EPHX2EPHX1CYP2D6HRH3CYP3A4
SCHEMBL10265288 0.80 POLB (0.53) EPHX2CYP2D6HRH3CYP3A4RAB9A
SCHEMBL6539120 0.80 EPHX2 (0.65) EPHX2EPHX1
SCHEMBL26816653 0.80 KDM5A (0.49) EPHX2EPHX1CYP2D6HRH3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928868-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP claimed
US-9303012-B2 Pyridine-2-amides useful as CB2 agonists HOFFMAN-LA ROCHE INC. (US) 2016-04-05 US claimed
US-20150299165-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-10-22 US claimed
EP-2928868-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 EP claimed
CN-104854092-A PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE 2015-08-19 CN claimed
WO-2014086806-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO claimed
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 US claimed
EP-2041141-A2 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2009-04-01 EP claimed
WO-2008006883-A2 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2008-01-17 WO claimed
EP-2928868-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed
US-9303012-B2 Pyridine-2-amides useful as CB2 agonists HOFFMAN-LA ROCHE INC. (US) 2016-04-05 US disclosed
US-20150299165-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN-LA ROCHE INC. (US) 2015-10-22 US disclosed
EP-2928868-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
CN-104854092-A PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE 2015-08-19 CN disclosed
WO-2014086806-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
US-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 US disclosed
EP-2041141-A2 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2009-04-01 EP disclosed
WO-2008006883-A2 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2008-01-17 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 (2 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-20150299165-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS CNR2, CNR1, GPR52 EPHX2 727/4885EPHX1 903/4885CYP2D6 843/4885
US-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD EPHX2 4100/4885EPHX1 3284/4885CYP2D6 890/4885

“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.