SCHEMBL5438029

SCHEMBL5438029

CC(C)S(=O)(=O)N1CCC(N2COCc3ccccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.39
▸ OPRK1 P41145 3/20 0.39
▸ OPRL1 P41146 3/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ HTR6 P50406 4/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CHRM2 P08172 2/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CACNB4 O00305 2/20 0.34
▸ CACNA1A O00555 2/20 0.34
▸ CACNA1G O43497 2/20 0.34
▸ CACNG3 O60359 2/20 0.34
▸ CACNA1F O60840 2/20 0.34
▸ CACNA1H O95180 2/20 0.34
▸ CACNB3 P54284 2/20 0.34
▸ CACNA2D1 P54289 2/20 0.34
▸ CACNG7 P62955 2/20 0.34
▸ CACNA1B Q00975 2/20 0.34

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
SCHEMBL5435793 0.81 KDM4E (0.46) HTR6CHRM2ALDH1A1TSHR
SCHEMBL5431697 0.80 ALDH1A1 (0.51) ALDH1A1POLBTP53L3MBTL1
SCHEMBL5428107 0.80 HTR6 (0.47) OPRM1OPRK1OPRL1OPRD1HTR6
SCHEMBL5441438 0.80 ALDH1A1 (0.43) HTR6EPHX2ALDH1A1POLBTP53
SCHEMBL5428757 0.78 GAA (0.52) HTR6ALDH1A1TSHRPOLBTP53
SCHEMBL5441823 0.78 MEN1 (0.47) HTR6EPHX2ALDH1A1TP53L3MBTL1
SCHEMBL3143423 0.77 HTR6 (0.63) HTR6
SCHEMBL5432903 0.77 TSHR (0.50) ALDH1A1TSHRPOLB
SCHEMBL5435335 0.77 HTR6 (0.46) HTR6ALDH1A1
SCHEMBL5430816 0.77 TSHR (0.52) TSHRPOLBTP53

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 OPRM1 46/4885OPRK1 72/4885OPRL1 15/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R OPRM1 46/4885OPRK1 72/4885OPRL1 15/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R OPRM1 45/4885OPRK1 74/4885OPRL1 13/4885

“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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