SCHEMBL3748247

SCHEMBL3748247

O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.56
TSHR P16473 2/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.54
POLB P06746 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
SCHEMBL3684176 0.94 TAAR1 (0.66) TAAR1SMN1; SMN2TSHRMAPTNPC1
SCHEMBL3645367 0.88 TAAR1 (0.71) TAAR1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL3643347 0.88 TAAR1 (0.71) TAAR1SMN1; SMN2TSHRMAPTNPC1
SCHEMBL3639447 0.88 TAAR1 (0.68) TAAR1SMN1; SMN2MAPTNPC1TP53
SCHEMBL3646208 0.88 TAAR1 (0.68) TAAR1SMN1; SMN2MAPTTP53
SCHEMBL8079447 0.86 TAAR1 (0.53) TAAR1MEN1KMT2AALDH1A1POLB
SCHEMBL4254100 0.85 TAAR1 (0.77) TAAR1NPC1RAB9A
SCHEMBL4247984 0.85 TAAR1 (0.80) TAAR1SMN1; SMN2MAPTTP53
SCHEMBL3643138 0.85 TAAR1 (0.68) TAAR1SMN1; SMN2MAPTTP53
SCHEMBL3638666 0.85 TAAR1 (0.74) TAAR1SMN1; SMN2MAPTNPC1TP53

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 8 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
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
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 3/4885SMN1; SMN2 3929/4885TSHR 211/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TAAR1 97/4885SMN1; SMN2 155/4885TSHR 289/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 TAAR1 3/4885SMN1; SMN2 4137/4885TSHR 171/4885

“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.