SCHEMBL2684674

SCHEMBL2684674

Cn1nc(OCc2c(-c3ccc(F)cc3)nnn2C)cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 7/20 0.67
LPAR1 Q92633 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PTGER4 P35408 1/20 0.36
FABP4 P15090 2/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.35
PKM P14618 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL2683473 0.90 GABRA5 (0.67) GABRA5HDAC3HDAC4HDAC1HDAC7
SCHEMBL2688051 0.83 GABRA5 (0.52) GABRA5LPAR1PTGER4SLCO1B1
SCHEMBL2683700 0.83 GABRA5 (0.69) GABRA5LPAR1
SCHEMBL2687939 0.82 GABRA5 (0.51) GABRA5LPAR1PTGER4SLCO1B1
SCHEMBL2686909 0.82 GABRA5 (0.59) GABRA5
SCHEMBL4407568 0.81 GABRA5 (1.00) GABRA5
SCHEMBL2682578 0.79 GABRA5 (0.70) GABRA5
SCHEMBL28804946 0.79 GABRA5 (0.52) GABRA5LPAR1
SCHEMBL285797 0.78 GABRA5 (0.65) GABRA5
SCHEMBL2685549 0.77 GABRA5 (0.69) GABRA5KDM5AKDM5B

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-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 EP claimed
US-8697696-B2 Triazole compounds II ROCHE PALO ALTO LLC (US) 2014-04-15 US claimed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
CN-103189370-A Triazole derivatives as ligands for GABA receptors HOFFMANN LA ROCHE 2013-07-03 CN claimed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II ROCHE PALO ALTO LLC 2012-05-10 US claimed
EP-2638035-B1 Triazole derivatives as ligands for Gaba receptors HOFFMANN LA ROCHE (CH) 2014-12-17 EP disclosed
US-8697696-B2 Triazole compounds II ROCHE PALO ALTO LLC (US) 2014-04-15 US disclosed
EP-2638035-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP disclosed
CN-103189370-A Triazole derivatives as ligands for GABA receptors HOFFMANN LA ROCHE 2013-07-03 CN disclosed
WO-2012062623-A1 TRIAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO disclosed
US-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II 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-20120115868-A1 NOVEL TRIAZOLE COMPOUNDS II GABRA5, GABRA1, GABRA3 GABRA5 1/4885LPAR1 1367/4885HDAC3 421/4885

“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.