SCHEMBL286567

SCHEMBL286567

Cn1nc(OCc2c(-c3ccc(Cl)cc3)noc2CO)cc1C(=O)NC(C)(C)CO

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 16/20 0.57
GABRA1 P14867 2/20 0.45
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL286352 0.87 GABRA5 (0.54) GABRA5
SCHEMBL286595 0.86 GABRA5 (0.49) GABRA5
SCHEMBL286588 0.86 GABRA5 (0.54) GABRA5FFAR4
SCHEMBL286108 0.85 GABRA5 (0.57) GABRA5GABRA1
SCHEMBL286094 0.85 GABRA5 (0.50) GABRA5FFAR4
SCHEMBL286353 0.85 GABRA5 (0.42) GABRA5CNR1FFAR4
SCHEMBL286125 0.85 GABRA5 (0.47) GABRA5GABRA1FFAR4
SCHEMBL285947 0.84 GABRA5 (0.56) GABRA5GABRA1
SCHEMBL286366 0.84 GABRA5 (0.57) GABRA5GABRA1
SCHEMBL2628075 0.84 GABRA5 (0.57) GABRA5GABRA1

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-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US claimed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 GABRA5 1/4885GABRA1 2/4885CNR1 89/4885

“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.