SCHEMBL3645668

SCHEMBL3645668

COc1cccc(NC(=O)c2ccc(N3CCCCCC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.79
S1PR1 P21453 1/20 0.58

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
SCHEMBL3642495 1.00 TAAR1 (0.79) TAAR1S1PR1
SCHEMBL4247984 0.99 TAAR1 (0.80) TAAR1
SCHEMBL3645506 0.97 TAAR1 (0.77) TAAR1
SCHEMBL3679927 0.91 TAAR1 (0.72) TAAR1
SCHEMBL4254287 0.91 TAAR1 (0.68) TAAR1
SCHEMBL3683597 0.90 TAAR1 (0.66) TAAR1S1PR1
SCHEMBL4248596 0.90 SMN1; SMN2 (0.71) TAAR1
SCHEMBL3641066 0.90 TAAR1 (0.70) TAAR1
SCHEMBL3646844 0.90 TAAR1 (0.79) TAAR1
SCHEMBL4254100 0.89 TAAR1 (0.77) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US claimed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO claimed
US-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-19 US disclosed
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-05 US disclosed
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
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
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 (3 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-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME HRH4, VIPR1, TAAR1 TAAR1 3/4885S1PR1 616/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TAAR1 97/4885S1PR1 537/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 TAAR1 3/4885S1PR1 751/4885

“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.