SCHEMBL3645707

SCHEMBL3645707

COc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 1.00
MAPT P10636 4/20 0.68
ALDH1A1 P00352 2/20 0.68
SLC2A1 P11166 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 1/20 0.66
LMNA P02545 1/20 0.66
KMT2A Q03164 1/20 0.66
MAPK1 P28482 1/20 0.59
CTPS1 P17812 1/20 0.59
JAK2 O60674 1/20 0.59

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
SCHEMBL8085185 0.91 TAAR1 (0.84) TAAR1MAPTALDH1A1SLC2A1SMN1; SMN2
SCHEMBL3638734 0.90 TAAR1 (0.82) TAAR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3647714 0.90 TAAR1 (0.82) TAAR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4257413 0.89 TAAR1 (0.81) TAAR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4254513 0.89 TAAR1 (0.79) TAAR1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL4248051 0.88 TAAR1 (0.78) TAAR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3679927 0.84 TAAR1 (0.72) TAAR1
SCHEMBL3641066 0.83 TAAR1 (0.70) TAAR1MAPTSMN1; SMN2
SCHEMBL4250966 0.81 MAPT (1.00) TAAR1MAPTALDH1A1SLC2A1SMN1; SMN2
SCHEMBL4252190 0.78 ALDH1A1 (0.82) TAAR1MAPTALDH1A1MEN1LMNA

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
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 EP 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-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
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 3/4885MAPT 2722/4885ALDH1A1 2131/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TAAR1 97/4885MAPT 759/4885ALDH1A1 204/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 TAAR1 3/4885MAPT 2343/4885ALDH1A1 779/4885

“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.