SCHEMBL467330

SCHEMBL467330

CCN(CC)C(=O)c1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.56
MLYCD O95822 2/20 0.55
LMNA P02545 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSP90AA1 P07900 5/20 0.49
HSP90AB1 P08238 5/20 0.49
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.45
BLM P54132 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL5703500 0.84 HPGD (0.73) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL483124 0.84 MLYCD (0.57) HPGDALDH1A1MAPTMLYCDL3MBTL1
SCHEMBL11485018 0.83 HPGD (0.56) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL2902770 0.82 HDAC4 (0.42) HPGDALDH1A1MAPTMLYCDMEN1
SCHEMBL2225457 0.82 HPGD (0.38) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL2678371 0.81 EGFR (0.56) HPGDALDH1A1MLYCDL3MBTL1NPC1
SCHEMBL3970820 0.79 HPGD (0.36) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL2223546 0.79 HPGD (0.36) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL16277728 0.79 LMNA (0.41) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL72112 0.78 HPGD (0.85) HPGDALDH1A1MAPTMLYCDLMNA

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 180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139546-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-09-22 US claimed
EP-2493863-B1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-02-25 EP claimed
CN-102686569-B Phenoxy substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA NV 2014-11-26 CN claimed
US-8846655-B2 4-substituted-2-phenoxy-phenylamine delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-09-30 US claimed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP claimed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US claimed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US claimed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US claimed
CN-101184749-B Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORP 2012-12-05 CN claimed
US-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-29 US claimed
EP-0873322-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1998-10-28 EP claimed
WO-1997023467-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 WO claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
US-4294581-A ANTHRAQUINONE DYES BASF AKTIENGESELLSCHAFT (DE) 1981-10-13 US claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120302541-A1 4-SUBSTITUTED-2-PHENOXY-PHENYLAMINE DELTA OPIOID RECEPTOR MODULATORS OPRK1, OPRD1, OPRM1 HPGD 1101/4885ALDH1A1 779/4885MAPT 1365/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 HPGD 815/4885ALDH1A1 238/4885MAPT 2667/4885

“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.