SCHEMBL855064

SCHEMBL855064

CCOC(=O)C(CCC#N)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.34
SLC1A2 P43004 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP1 P29466 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL7055826 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL7055006 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL9630466 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL9186152 0.83 TSHR (0.34) MEN1KMT2ATSHRSLC1A2SMN1; SMN2
SCHEMBL9432674 0.82 TSHR (0.42) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL20522498 0.81 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL9594621 0.81 TDP1 (0.47) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL15455352 0.80 TSHR (0.41) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL3010250 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL4441158 0.78 SLC1A2 (0.47) MEN1KMT2AALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103755622-A Method for synthesizing 4,5,6-7-D4indole-3-acetic acid UNIV EAST CHINA SCIENCE & TECH 2014-04-30 CN disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2350061-B1 2,3-DISUBSTITUTED PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2350061-B1 2,3-DISUBSTITUTED PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8357700-B2 2,3-disubstituted piperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-22 US disclosed
US-8357700-B2 2,3-disubstituted piperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-22 US disclosed
US-8357700-B2 2,3-disubstituted piperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-22 US disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
US-20110263643-A1 2,3-Disubstituted Piperidine Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-10-27 US disclosed
US-20110263643-A1 2,3-Disubstituted Piperidine Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-10-27 US disclosed
US-20110263643-A1 2,3-Disubstituted Piperidine Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2011-10-27 US disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
WO-2010048016-A1 2,3-DISUBSTITUTED PIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 WO disclosed
US-6951866-B2 Bicyclic pyrimidine compounds and therapeutic use thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-10-04 US disclosed
EP-1110951-B1 PYRIMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-05-19 EP disclosed
US-20030105323-A1 Pyrimidine derivative SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-06-05 US disclosed
US-6458798-B1 HAS AN INHIBITORY ACTIVITY OF PRODUCTION OF TH2 TYPE CYTOKINES SUCH AS IL-4, IL-5, ETC., AND IS USEFUL AS AN THERAPEUTIC AGENT FOR ALLERGIC DISEASES, AUTOIMMUNE DISEASES SUCH AS SYSTEMIC LUPUS ERYTHEMATHOSUS, ETC., AND ACQUIRED SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-10-01 US disclosed
EP-1110951-A1 PYRIMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-27 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 (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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 MEN1 4630/4885KMT2A 3813/4885ALDH1A1 1293/4885
US-20110263643-A1 2,3-Disubstituted Piperidine Orexin Receptor Antagonists HCRTR2, HCRTR1, CRHR2 MEN1 2214/4885KMT2A 714/4885ALDH1A1 2194/4885
US-20030105323-A1 Pyrimidine derivative IL5, IL4, IL15 MEN1 3390/4885KMT2A 2905/4885ALDH1A1 1331/4885

“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.