SCHEMBL3683547

SCHEMBL3683547

Cc1cnc(C)n1Cc1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ABHD6 Q9BV23 1/20 0.40
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
MERTK Q12866 1/20 0.38

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
SCHEMBL3681644 0.76 KMT2A (0.51) L3MBTL1
SCHEMBL3305062 0.76 HPGDS (0.49) CYP2C19CYP3A4CYP2D6MAOAMERTK
SCHEMBL4486484 0.75 CYP11B1 (0.51) CYP11B1CYP11B2L3MBTL1
SCHEMBL4480052 0.72 CYP11B1 (0.51) CYP11B1CYP11B2ABHD6MAOBMAOA
SCHEMBL16818453 0.69 BRD4 (0.75)
SCHEMBL30242186 0.69 MAPT (0.62) CYP3A4
SCHEMBL4477317 0.69 CYP11B1 (0.55) CYP11B1CYP11B2ABHD6MAOBMAOA
SCHEMBL6754435 0.68 FYN (0.46) MAOA
SCHEMBL25765644 0.67 CYP19A1 (0.63) CYP11B1CYP11B2CYP2C19CYP3A4CYP2D6
SCHEMBL8802431 0.66 CYP19A1 (0.59) CYP11B1CYP11B2CYP3A4ABHD6MAOB

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
CN-101765425-A Use of benzamide derivatives for the treatment of CNS disorders HOFFMANN LA ROCHE 2010-06-30 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 CYP11B1 811/4885CYP11B2 643/4885CYP2C19 598/4885

“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.