SCHEMBL3560288

SCHEMBL3560288

O=C(O)C(c1ccc(Cl)cc1)n1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.61
CYP26A1 O43174 3/20 0.52
CYP3A4 P08684 4/20 0.48
MEN1 O00255 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP24A1 Q07973 4/20 0.47
CYP27B1 O15528 2/20 0.47
CYP2D6 P10635 3/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL17315106 0.85 CYP19A1 (0.61) CYP19A1CYP26A1CYP3A4MEN1ADRA1A
SCHEMBL2546988 0.82 CYP19A1 (0.55) CYP19A1CYP26A1CYP3A4MEN1ADORA3
SCHEMBL9558665 0.82 CYP3A4 (0.63) CYP19A1CYP26A1CYP3A4MEN1ADORA3
SCHEMBL9523337 0.82 CYP19A1 (0.55) CYP19A1CYP26A1CYP3A4MEN1ADORA3
SCHEMBL3558863 0.82 CYP26A1 (0.57) CYP19A1CYP26A1CYP3A4MEN1ADORA3
SCHEMBL11333169 0.80 CYP19A1 (0.52) CYP19A1CYP26A1CYP3A4MEN1ADORA3
SCHEMBL3555929 0.78 HSD17B10 (0.58) CYP19A1CYP3A4MEN1ADORA3KMT2A
SCHEMBL11224914 0.76 CYP19A1 (0.48) CYP19A1CYP26A1CYP3A4MEN1ADORA3
SCHEMBL10693298 0.76 CYP19A1 (1.00) CYP19A1CYP26A1CYP3A4MEN1ADRA1A
SCHEMBL11774887 0.76 CYP19A1 (0.54) CYP19A1CYP26A1CYP3A4MEN1ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR CYP19A1 156/4885CYP26A1 447/4885CYP3A4 1270/4885

“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.