SCHEMBL3976158

SCHEMBL3976158

Cc1onc(-c2cccc(F)c2)c1C(=O)c1cc(C(=O)NCC2CC2)n(C)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.56
NPSR1 Q6W5P4 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.42
P2RY12 Q9H244 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3980874 0.90 GABRA5 (0.55) GABRA5NPSR1P2RY12GAATSHR
SCHEMBL3979100 0.90 NPSR1 (0.60) GABRA5NPSR1P2RY12GAATSHR
SCHEMBL3978965 0.86 GPBAR1 (0.44) GABRA5GPBAR1P2RY12GAATSHR
SCHEMBL3976838 0.85 GABRA5 (0.51) GABRA5GPBAR1P2RY12GAATSHR
SCHEMBL3979034 0.85 GABRA5 (0.51) GABRA5GPBAR1P2RY12GAATSHR
SCHEMBL14546683 0.84 GABRA5 (0.44) GABRA5
SCHEMBL4981836 0.83 GABRA5 (0.55) GABRA5NPSR1
SCHEMBL3974843 0.82 GPBAR1 (0.50) GABRA5GPBAR1P2RY12GAATSHR
SCHEMBL3973244 0.82 ALDH1A1 (0.60) GABRA5NPSR1GPBAR1
SCHEMBL4979240 0.78 GABRA5 (0.53) GABRA5NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 GABRA5 1/4885NPSR1 175/4885GPBAR1 214/4885

“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.