SCHEMBL17142128

SCHEMBL17142128

O=C(O)c1ccc(-c2ccc(Cl)cc2)c(OCC2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.47
CNR2 P34972 10/20 0.46
KMO O15229 2/20 0.46

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
SCHEMBL17142066 0.88 CNR2 (0.45) CNR1CNR2
SCHEMBL21065341 0.83 CNR2 (0.56) CNR1CNR2
SCHEMBL411937 0.82 CNR1 (0.52) CNR1CNR2KMO
SCHEMBL14152299 0.81 CNR2 (0.58) CNR2KMO
SCHEMBL411043 0.80 CNR2 (0.66) CNR1CNR2KMO
SCHEMBL17142079 0.80 CNR2 (0.68) CNR1CNR2
SCHEMBL2116976 0.79 CNR1 (0.66) CNR1CNR2KMO
SCHEMBL17142116 0.78 CNR2 (0.51) CNR1CNR2
SCHEMBL17142039 0.77 KMO (0.49) CNR2KMO
SCHEMBL30680327 0.77 CNR2 (0.66) CNR1CNR2KMO

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
CN-111170938-A 5, 6-disubstituted pyridine-2-carboxamides as cannabinoid receptor agonists 豪夫迈·罗氏有限公司 2020-05-19 CN disclosed
EP-3126349-B1 5,6-DISUBSTITUTED PYRIDINE-2-CARBOXAMIDES AS CANNABINOID RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2019-06-26 EP disclosed
EP-3126349-B1 5,6-DISUBSTITUTED PYRIDINE-2-CARBOXAMIDES AS CANNABINOID RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2019-06-26 EP disclosed
US-20180327360-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US disclosed
EP-3126349-A1 5,6-DISUBSTITUTED PYRIDINE-2-CARBOXAMIDES AS CANNABINOID RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2017-02-08 EP disclosed
US-20160376237-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US disclosed
US-20160376237-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-12-29 US disclosed
WO-2015150438-A1 5,6-DISUBSTITUTED PYRIDINE-2-CARBOXAMIDES AS CANNABINOID RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
WO-2015150438-A1 5,6-DISUBSTITUTED PYRIDINE-2-CARBOXAMIDES AS CANNABINOID RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 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-20160376237-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR1 12/4885CNR2 19/4885KMO 1367/4885
US-20180327360-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR1 12/4885CNR2 19/4885KMO 1367/4885

“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.