SCHEMBL411043

SCHEMBL411043

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

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.66
CNR1 P21554 2/20 0.66
KMO O15229 2/20 0.54
PTGER1 P34995 7/20 0.49
XDH P47989 3/20 0.46
MRGPRX4 Q96LA9 2/20 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
SCHEMBL17142071 0.86 PTGER1 (0.51) CNR2CNR1KMOPTGER1XDH
SCHEMBL412103 0.81 KMO (0.55) CNR2CNR1KMOPTGER1XDH
SCHEMBL2116976 0.81 CNR1 (0.66) CNR2CNR1KMOPTGER1
SCHEMBL15774818 0.81 CNR2 (0.60) CNR2CNR1KMOPTGER1XDH
SCHEMBL17142128 0.80 CNR1 (0.47) CNR2CNR1KMO
SCHEMBL10271088 0.79 CNR1 (0.53) CNR2CNR1KMOPTGER1XDH
SCHEMBL410512 0.79 MRGPRX4 (0.49) CNR2CNR1KMOPTGER1XDH
SCHEMBL28134616 0.78 CNR2 (0.53) CNR2CNR1
SCHEMBL3811888 0.77 CNR1 (0.67) CNR2CNR1PTGER1XDH
SCHEMBL17142039 0.77 KMO (0.49) CNR2KMOXDH

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US claimed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US claimed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed
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
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
WO-2015150438-A1 5,6-DISUBSTITUTED PYRIDINE-2-CARBOXAMIDES AS CANNABINOID RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885CNR1 269/4885KMO 2423/4885
US-20160376237-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 19/4885CNR1 12/4885KMO 1367/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR2 435/4885CNR1 269/4885KMO 2423/4885
US-20180327360-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 19/4885CNR1 12/4885KMO 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.