SCHEMBL1576896

SCHEMBL1576896

CCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.97

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.97
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 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
SCHEMBL12931880 0.98 EPHX2 (1.00) EPHX2ALDH1A1
SCHEMBL19966024 0.88 EPHX2 (0.77) EPHX2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL31276295 0.85 EPHX2 (0.72) EPHX2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL12931878 0.84 EPHX2 (1.00) EPHX2ALDH1A1
SCHEMBL31275669 0.84 EPHX2 (0.75) EPHX2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30927840 0.84 EPHX2 (0.70) EPHX2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL29129704 0.84 EPHX2 (0.70) EPHX2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL31529425 0.83 EPHX2 (0.69) EPHX2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30927839 0.83 EPHX2 (0.73) EPHX2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30927841 0.83 EPHX2 (0.73) EPHX2ALDH1A1MEN1KMT2ACYP3A4

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 17 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
EP-2308871-A1 Substituted indole compounds and their use as 5-HT6 receptor modulators Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-04-13 EP disclosed
EP-1660131-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2009-06-24 EP disclosed
EP-1648445-B1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP disclosed
EP-1648468-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2008-09-24 EP disclosed
CN-101068809-A Substituted indole compounds and their use as 5-ht6 receptor modulators ESTEVE LABOR DR (ES) 2007-11-07 CN disclosed
US-20070213326-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 RECEPTOR MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-13 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-20070032520-A1 Indol-5-yl sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-02-08 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
EP-1660131-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) 2006-05-31 EP disclosed
EP-1648468-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) 2006-04-26 EP disclosed
EP-1648445-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
EP-1632491-A1 Substituted indole compounds and their use as 5-HT6 receptor modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-08 EP disclosed
WO-2005014000-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) 2005-02-17 WO disclosed
WO-2005013977-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005014045-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. (DE) 2005-02-17 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 (5 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-20070213326-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 RECEPTOR MODULATORS HTR6, TPH1, TPH2 EPHX2 3167/4885ALDH1A1 1241/4885MEN1 1818/4885
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R EPHX2 2944/4885ALDH1A1 3499/4885MEN1 1677/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R EPHX2 2944/4885ALDH1A1 3499/4885MEN1 1677/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R EPHX2 2943/4885ALDH1A1 3880/4885MEN1 1861/4885
US-20070032520-A1 Indol-5-yl sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators HTR6, HTR5A, TPH1 EPHX2 2550/4885ALDH1A1 1252/4885MEN1 2737/4885

“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.