SCHEMBL8084684

SCHEMBL8084684

COc1cccc(NC(=O)c2ccc(N3CC(C)CC(C)C3)c(C(F)(F)F)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.62
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL31107154 1.00 TAAR1 (0.62) TAAR1NPC1RAB9ARXFP1
SCHEMBL3681050 1.00 TAAR1 (0.62) TAAR1NPC1RAB9ARXFP1
SCHEMBL3641066 0.88 TAAR1 (0.70) TAAR1
SCHEMBL3645506 0.87 TAAR1 (0.77) TAAR1
SCHEMBL4247984 0.87 TAAR1 (0.80) TAAR1
SCHEMBL3645668 0.86 TAAR1 (0.79) TAAR1
SCHEMBL3642495 0.86 TAAR1 (0.79) TAAR1
SCHEMBL4254287 0.85 TAAR1 (0.68) TAAR1
SCHEMBL3645068 0.85 TAAR1 (0.65) TAAR1
SCHEMBL4248596 0.84 SMN1; SMN2 (0.71) TAAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TAAR1 97/4885NPC1 869/4885RAB9A 733/4885

“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.