SCHEMBL3645852

SCHEMBL3645852

COc1cccc(NC(=O)c2ccc(N3CCC(C#N)CC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.62
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3683597 0.97 TAAR1 (0.66) TAAR1
SCHEMBL3683667 0.96 TAAR1 (0.58) TAAR1TP53MAPTTHRBSMN1; SMN2
SCHEMBL3641066 0.90 TAAR1 (0.70) TAAR1TP53MAPTTHRBSMN1; SMN2
SCHEMBL3645068 0.88 TAAR1 (0.65) TAAR1TP53MAPTTHRBSMN1; SMN2
SCHEMBL4247984 0.87 TAAR1 (0.80) TAAR1TP53MAPTTHRBSMN1; SMN2
SCHEMBL3645506 0.87 TAAR1 (0.77) TAAR1TP53MAPTTHRBSMN1; SMN2
SCHEMBL3645668 0.86 TAAR1 (0.79) TAAR1
SCHEMBL3642495 0.86 TAAR1 (0.79) TAAR1
SCHEMBL4254287 0.85 TAAR1 (0.68) TAAR1
SCHEMBL4248596 0.84 SMN1; SMN2 (0.71) TAAR1TP53MAPTTHRBSMN1; SMN2

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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US 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
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
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 (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 3/4885TP53 4864/4885MAPT 2722/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TAAR1 97/4885TP53 4869/4885MAPT 759/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 TAAR1 3/4885TP53 4695/4885MAPT 2343/4885

“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.