Sugi Predict

Sugi Predict / Compounds / SCHEMBL613629

SCHEMBL613629

SCHEMBL613629

COc1cccc(C2(O)CCC(=O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ OPRL1 P41146 1/20 0.56
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ GRIN2B Q13224 4/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ ALOX5 P09917 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
SCHEMBL31557718 0.87 OPRM1 (0.64) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL6831189 0.83 OPRM1 (0.61) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1660644 0.83 OPRM1 (0.61) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL19737304 0.83 LMNA (0.47) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4180702 0.82 OPRM1 (0.59) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL30567205 0.82 OPRM1 (0.59) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL613824 0.81 KDM1A (0.49) ALDH1A1KMT2ASIGMAR1KDM1AALOX5
Hydrochloric Acid SCHEMBL4464330 0.81 OPRM1 (0.58) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4878231 0.81 HCAR2 (0.46) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL613812 0.80 OPRM1 (0.50) ALDH1A1OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444212-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2004-08-11 — — EP claimed
WO-2003037879-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 — — WO claimed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 — — EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 — — EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 — — US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 — — US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 — — US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 — — EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 — — US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 — — US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 — — US disclosed
EP-1368299-B1 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2006-07-26 — — EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 — — EP disclosed
EP-1571140-A1 C-substituted cyclohexylmethylamine derivatives Grünenthal GmbH (DE) 2005-09-07 — — EP disclosed
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds GRUNENTHAL GMBH (DE) 2004-11-11 — — US disclosed
EP-1444212-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2004-08-11 — — EP disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 — — US disclosed
EP-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 — — EP disclosed
WO-2003037879-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 — — WO disclosed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 — — 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 (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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 ALDH1A1 458/4885OPRM1 370/4885OPRD1 126/4885
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT ALDH1A1 2922/4885OPRM1 5/4885OPRD1 25/4885
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds NQO2, NQO1, CYP2C8 ALDH1A1 882/4885OPRM1 661/4885OPRD1 1139/4885

“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.