SCHEMBL530038

SCHEMBL530038

CC(C)(C)OC(=O)NC1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 3/20 0.61
▸ SKP1 P63208 3/20 0.61
▸ SKP2 Q13309 3/20 0.61
▸ RET P07949 1/20 0.51
▸ MAP4K4 O95819 2/20 0.50
▸ SYK P43405 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.45
▸ SUV39H2 Q9H5I1 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ KCNA3 P22001 1/20 0.43
▸ CTSK P43235 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL596151 0.93 MAP4K4 (0.58) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL594137 0.93 MAP4K4 (0.58) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL529863 0.93 MAP4K4 (0.58) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL30181322 0.89 MAP4K4 (0.51) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL29007869 0.89 MAP4K4 (0.51) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL30931884 0.88 CKS1B (0.61) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL21564581 0.88 CKS1B (0.61) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL7080374 0.88 CKS1B (0.61) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL529801 0.88 MAP4K4 (0.66) CKS1BSKP1SKP2RETMAP4K4
SCHEMBL529856 0.88 MAP4K4 (0.66) CKS1BSKP1SKP2RETMAP4K4

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
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 — — EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 — — US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 — — US disclosed
US-8716312-B2 Inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORPORATION (US) 2014-05-06 — — US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 — — US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 — — US disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 — — EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 — — WO disclosed
EP-2367598-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-09-28 — — EP disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 — — US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 — — US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 — — US disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 — — WO disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 — — WO disclosed
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 — — EP disclosed
US-6867220-B2 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-15 — — US disclosed
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them SANOFI-AVENTIS (FR) 2003-02-27 — — 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 (4 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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT CKS1B 2426/4885SKP1 2813/4885SKP2 2309/4885
US-20030040530-A1 Phenoxypropanolamines, method for producing them and pharmaceutical compositions containning them CNR1, CORO1C, CBR1 CKS1B 1466/4885SKP1 730/4885SKP2 3546/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT CKS1B 2476/4885SKP1 2506/4885SKP2 2272/4885
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 CKS1B 216/4885SKP1 594/4885SKP2 100/4885

“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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