SCHEMBL4663398

SCHEMBL4663398

COc1cccc(C2(O)CCC(OCc3ccc(F)cc3)CC2CN(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.58
OPRD1 P41143 7/20 0.58
SLC6A2 P23975 6/20 0.58
SLC6A4 P31645 6/20 0.58
OPRM1 P35372 5/20 0.58
SLC22A1 O15245 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL6429410 1.00 OPRK1 (0.58) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL29565390 1.00 OPRK1 (0.58) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL145552 1.00 OPRK1 (0.58) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL29966565 1.00 OPRK1 (0.58) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL4665471 0.92 OPRK1 (0.61) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL147934 0.91 OPRK1 (0.58) OPRK1OPRD1SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL8617636 0.91 OPRK1 (0.60) OPRK1OPRD1SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL8615882 0.91 OPRK1 (0.60) OPRK1OPRD1SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL8613685 0.91 OPRK1 (0.60) OPRK1OPRD1SLC6A2SLC6A4OPRM1
SCHEMBL4663621 0.91 OPRM1 (0.49) OPRK1OPRD1SLC6A2SLC6A4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP claimed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US claimed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US claimed
EP-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP claimed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO claimed
CN-116367864-A Controlled release filler composition and capsule containing the same R·P·谢勒技术有限公司 2023-06-30 CN disclosed
CN-116322655-A Soft gel capsule for regulating release R·P·谢勒技术有限公司 2023-06-23 CN disclosed
EP-2780000-A1 TAMPER-RESISTANT ORAL PHARMACEUTICAL DOSAGE FORM COMPRISING A PHARMACOLOGICALLY ACTIVE INGREDIENT, AN OPIOID ANTAGONIST AND/OR AVERSIVE AGENT, POLYALKYLENE OXIDE AND ANIONIC POLYMER Grünenthal GmbH (DE) 2014-09-24 EP disclosed
EP-2763664-A2 TAMPER-RESISTANT ORAL PHARMACEUTICAL DOSAGE FORM COMPRISING OPIOID AGONIST AND OPIOID ANTAGONIST Grünenthal GmbH (DE) 2014-08-13 EP disclosed
WO-2013072395-A1 TAMPER-RESISTANT ORAL PHARMACEUTICAL DOSAGE FORM COMPRISING A PHARMACOLOGICALLY ACTIVE INGREDIENT, AN OPIOID ANTAGONIST AND/OR AVERSIVE AGENT, POLYALKYLENE OXIDE AND ANIONIC POLYMER Grünenthal GmbH (DE) 2013-05-23 WO disclosed
WO-2013050539-A2 TAMPER-RESISTANT ORAL PHARMACEUTICAL DOSAGE FORM COMPRISING OPIOID AGONIST AND OPIOID ANTAGONIST Grünenthal GmbH (DE) 2013-04-11 WO disclosed
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP disclosed
EP-1858496-A1 TRANSDERMAL THERAPEUTIC SYSTEM FOR THE ADMINISTRATION OF ANALGESICS GRUENENTHAL GMBH (DE) 2007-11-28 EP disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
WO-2006094961-A1 TRANSDERMAL THERAPEUTIC SYSTEM FOR THE ADMINISTRATION OF ANALGESICS GRUENENTHAL GMBH (DE) 2006-09-14 WO disclosed
EP-1571140-A1 C-substituted cyclohexylmethylamine derivatives Grünenthal GmbH (DE) 2005-09-07 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-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 (1 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-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT OPRK1 6/4885OPRD1 25/4885SLC6A2 611/4885

“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.