SCHEMBL2687939

SCHEMBL2687939

Cn1nnc(-c2ccc(F)cc2)c1COc1cnc(C(=O)O)cn1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 14/20 0.51
SMO Q99835 1/20 0.38
LPAR1 Q92633 1/20 0.37
PTGER4 P35408 1/20 0.35
GRM2 Q14416 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
P4HTM Q9NXG6 1/20 0.34

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
SCHEMBL2686890 0.89 GABRA5 (0.51) GABRA5
SCHEMBL2688750 0.87 GABRA5 (0.51) GABRA5LPAR1PTGER4
SCHEMBL2688051 0.86 GABRA5 (0.52) GABRA5LPAR1PTGER4SLCO1B1
SCHEMBL28804946 0.86 GABRA5 (0.52) GABRA5LPAR1
SCHEMBL2688754 0.85 GABRA5 (0.52) GABRA5
SCHEMBL2686909 0.85 GABRA5 (0.59) GABRA5
SCHEMBL2684674 0.82 GABRA5 (0.67) GABRA5LPAR1PTGER4SLCO1B1
SCHEMBL5960843 0.81 GABRA5 (0.75) GABRA5
SCHEMBL16087048 0.81 GABRA5 (0.49) GABRA5LPAR1PTGER4
SCHEMBL2687454 0.79 GABRA5 (0.60) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP claimed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US claimed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
CN-103221402-A Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2013-07-24 CN claimed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 US claimed
EP-2638029-B1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8742097-B2 Triazole compounds I HOFFMANN-LA ROCHE INC. (US) 2014-06-03 US disclosed
EP-2638029-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
CN-103221402-A Triazole derivatives and their use for neurological disorders HOFFMANN LA ROCHE 2013-07-24 CN disclosed
WO-2012062687-A1 TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I ROCHE PALO ALTO LLC 2012-05-10 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 (1 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-20120115844-A1 NOVEL TRIAZOLE COMPOUNDS I GABRA5, GABRA3, GABRA1 GABRA5 1/4885SMO 2455/4885LPAR1 1145/4885

“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.