SCHEMBL733892

SCHEMBL733892

N#CC1(N2CCCC2)CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL734309 0.96 ALDH1A1 (0.40) ALDH1A1KDM4E
SCHEMBL1349548 0.83 ALDH1A1 (0.37) ALDH1A1
SCHEMBL15194564 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9726985 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL15194472 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3237003 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9853462 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1350511 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8510561 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9853465 0.74 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502907-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2018-08-29 EP disclosed
EP-2518052-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
US-9580386-B2 Substituted 4-aminocyclohexane derivatives GRÜNENTHAL (DE) 2017-02-28 US disclosed
US-9403767-B2 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-08-02 US disclosed
US-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2014-12-04 US disclosed
US-8835689-B2 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2014-09-16 US disclosed
EP-2260021-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2013-08-01 US disclosed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
EP-2518052-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-10-31 EP disclosed
EP-2121691-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-11-25 EP disclosed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US disclosed
WO-2009118168-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
WO-2008101660-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 WO disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO disclosed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP disclosed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US disclosed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 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 (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-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 ALDH1A1 620/4885KDM4E 2459/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 ALDH1A1 620/4885KDM4E 2459/4885
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 ALDH1A1 2168/4885KDM4E 1686/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 ALDH1A1 620/4885KDM4E 2459/4885

“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.