SCHEMBL2628075

SCHEMBL2628075

C[C@@H](NC(=O)c1cc(OCc2c(-c3ccc(Cl)cc3)noc2CO)nn1C)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.57
GABRA1 P14867 1/20 0.45

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
SCHEMBL286366 1.00 GABRA5 (0.57) GABRA5GABRA1
SCHEMBL7877028 1.00 GABRA5 (0.57) GABRA5GABRA1
SCHEMBL286352 0.92 GABRA5 (0.54) GABRA5
SCHEMBL286108 0.87 GABRA5 (0.57) GABRA5GABRA1
SCHEMBL286595 0.85 GABRA5 (0.49) GABRA5
SCHEMBL286533 0.85 GABRA5 (0.54) GABRA5GABRA1
SCHEMBL286567 0.84 GABRA5 (0.57) GABRA5GABRA1
SCHEMBL286588 0.83 GABRA5 (0.54) GABRA5
SCHEMBL535933 0.83 GABRA5 (0.81) GABRA5
SCHEMBL286094 0.83 GABRA5 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2/4885

“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.