SCHEMBL3676610

SCHEMBL3676610

COc1cccc(NC(=O)c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.59
▸ JAK2 O60674 1/20 0.56
▸ SCN10A Q9Y5Y9 1/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ QSOX1 O00391 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL13930693 0.91 TAAR1 (0.54) TAAR1JAK2MAPTNPC1RAB9A
SCHEMBL31107156 0.91 TAAR1 (0.54) TAAR1JAK2MAPTNPC1RAB9A
SCHEMBL3647806 0.85 P2RY12 (0.64) JAK2MAPTNPC1RAB9AALOX15
SCHEMBL31107158 0.84 P2RY12 (0.63) JAK2MAPTNPC1RAB9AALOX15
SCHEMBL13930702 0.84 P2RY12 (0.63) JAK2MAPTNPC1RAB9AALOX15
SCHEMBL4247984 0.83 TAAR1 (0.80) TAAR1MAPTSMN1; SMN2
SCHEMBL3642495 0.82 TAAR1 (0.79) TAAR1
SCHEMBL3645668 0.82 TAAR1 (0.79) TAAR1
SCHEMBL3639029 0.81 RAB9A (0.61) JAK2MAPTNPC1RAB9ATSHR
SCHEMBL13930689 0.81 MAPT (0.70) MAPTNPC1RAB9AALOX15TSHR

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
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
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 3/4885JAK2 3810/4885SCN10A 787/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 TAAR1 97/4885JAK2 1211/4885SCN10A 357/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 TAAR1 3/4885JAK2 3545/4885SCN10A 2418/4885

“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.

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