SCHEMBL16115704

SCHEMBL16115704

[O-][n+]1ccc(OCC(F)(F)F)c(C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.40
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL15776052 0.94 PTGDR2 (0.39) CNR2PTGDR2GPR84
SCHEMBL15776256 0.75 ALDH1A1 (0.37) GPR84
SCHEMBL15790084 0.71 CNR2 (0.36) CNR2GPR84
SCHEMBL16115154 0.70 CNR2 (0.50) CNR2
SCHEMBL17316727 0.70 PTGDR2 (0.51) CNR2POLBPTGDR2
SCHEMBL17316488 0.70 CNR2 (0.41) CNR2
SCHEMBL15777319 0.70 KCNH2 (0.36) CNR2
SCHEMBL13999230 0.66 SLC6A2 (0.62)
SCHEMBL30896074 0.65 GPR84 (0.49) GPR84
SCHEMBL15776333 0.65 CNR2 (0.45) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-10308659-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-04 US disclosed
EP-2978755-B1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-01-03 EP disclosed
EP-2978755-A1 NOVEL PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-02-03 EP disclosed
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-21 US disclosed
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-21 US disclosed
WO-2014154612-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 WO disclosed
WO-2014154612-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 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-10308659-B2 Pyridine derivatives NDUFS6, NDUFS4, NDUFS8 CNR2 105/4885POLB 4037/4885PTGDR2 396/4885
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 26/4885POLB 4150/4885PTGDR2 428/4885
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 26/4885POLB 4150/4885PTGDR2 428/4885

“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.