SCHEMBL14226386

SCHEMBL14226386

CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)CC(C)C)n1)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 17/20 1.00
▸ CNR1 P21554 4/20 0.57
▸ SCN9A Q15858 1/20 0.53
▸ HPGDS O60760 1/20 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
SCHEMBL17763912 0.81 CNR2 (0.68) CNR2CNR1SCN9AHPGDS
SCHEMBL14226421 0.78 CNR2 (1.00) CNR2CNR1
SCHEMBL14226385 0.76 CNR2 (1.00) CNR2CNR1SCN9AHPGDS
SCHEMBL14226390 0.76 CNR2 (1.00) CNR2CNR1
SCHEMBL14151593 0.76 CNR2 (0.60) CNR2
SCHEMBL14226332 0.73 CNR2 (1.00) CNR2CNR1SCN9A
SCHEMBL14226349 0.71 CNR2 (1.00) CNR2CNR1SCN9A
SCHEMBL20057315 0.71 CNR2 (1.00) CNR2CNR1SCN9A
SCHEMBL14226281 0.70 CNR2 (0.62) CNR2CNR1SCN9A
SCHEMBL364277 0.69 SCN9A (1.00) CNR2CNR1SCN9A

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
EP-3072886-B1 PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2018-04-18 — — EP disclosed
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (US) 2016-05-19 — — US disclosed
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (US) 2016-05-19 — — US disclosed
US-9321727-B2 Pyridine derivatives as agonists of the CB2 receptor HOFFMANN-LA ROCHE INC. (US) 2016-04-26 — — US disclosed
US-9321727-B2 Pyridine derivatives as agonists of the CB2 receptor HOFFMANN-LA ROCHE INC. (US) 2016-04-26 — — US disclosed
US-9290451-B2 — — 2016-03-22 — — US disclosed
US-9290451-B2 — — 2016-03-22 — — US disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — US disclosed
US-20120316147-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — US 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-20120316147-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 19/4885CNR1 12/4885SCN9A 3068/4885
US-20160137606-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 19/4885CNR1 12/4885SCN9A 3068/4885

“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.

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