SCHEMBL4248596

SCHEMBL4248596

COc1cccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
TP53 P04637 2/20 0.71
MAPT P10636 1/20 0.71
THRB P10828 1/20 0.71
TAAR1 Q96RJ0 1/20 0.67
RAF1 P04049 1/20 0.67
BRAF P15056 1/20 0.67
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NPC1 O15118 1/20 0.59
LMNA P02545 1/20 0.59
RAB9A P51151 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
SCHEMBL3645506 0.91 TAAR1 (0.77) SMN1; SMN2TP53MAPTTHRBTAAR1
SCHEMBL4247984 0.91 TAAR1 (0.80) SMN1; SMN2TP53MAPTTHRBTAAR1
SCHEMBL3676766 0.91 TAAR1 (0.69) SMN1; SMN2TP53MAPTTHRBTAAR1
SCHEMBL3645668 0.90 TAAR1 (0.79) TAAR1
SCHEMBL3642495 0.90 TAAR1 (0.79) TAAR1
SCHEMBL4254287 0.89 TAAR1 (0.68) TAAR1RAF1BRAFALDH1A1
SCHEMBL3641066 0.88 TAAR1 (0.70) SMN1; SMN2TP53MAPTTHRBTAAR1
SCHEMBL3645068 0.87 TAAR1 (0.65) SMN1; SMN2TP53MAPTTHRBTAAR1
SCHEMBL8084684 0.84 TAAR1 (0.62) TAAR1NPC1RAB9A
SCHEMBL31107154 0.84 TAAR1 (0.62) 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 6 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
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 SMN1; SMN2 3929/4885TP53 4864/4885MAPT 2722/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 SMN1; SMN2 155/4885TP53 4869/4885MAPT 759/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 SMN1; SMN2 4137/4885TP53 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.