SCHEMBL5434648

SCHEMBL5434648

O=S(=O)(c1ccccc1-c1ccccc1)N1CCC(N2COCc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.46
▸ OPRM1 P35372 7/20 0.41
▸ OPRK1 P41145 7/20 0.41
▸ ALOX5AP P20292 4/20 0.39
▸ FEN1 P39748 4/20 0.39
▸ HCRTR1 O43613 2/20 0.38
▸ HCRTR2 O43614 2/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ FABP1 P07148 1/20 0.35

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
SCHEMBL5428107 0.84 HTR6 (0.47) HTR6OPRM1OPRK1
SCHEMBL5428757 0.84 GAA (0.52) HTR6
SCHEMBL5421769 0.82 KMT2A (0.54) HTR6
SCHEMBL5697936 0.81 HTR6 (0.49) HTR6
SCHEMBL5426366 0.81 HTR6 (0.47) HTR6
SCHEMBL5430033 0.81 HTR6 (0.47) HTR6HSD11B1
SCHEMBL3148821 0.80 HTR6 (0.70) HTR6
SCHEMBL5816293 0.79 HTR6 (0.47) HTR6
SCHEMBL5783205 0.79 HTR6 (0.42) HTR6
SCHEMBL5426162 0.78 HTR6 (0.45) HTR6

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-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 — — US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 — — US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 — — 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R HTR6 1/4885OPRM1 46/4885OPRK1 72/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR6 1/4885OPRM1 46/4885OPRK1 72/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R HTR6 2/4885OPRM1 45/4885OPRK1 74/4885

“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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