SCHEMBL517439

SCHEMBL517439

CN(C)C1(c2cccc(F)c2)CCC(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.50
OPRM1 P35372 13/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
OGFRL1 Q5TC84 1/20 0.46
KDM1A O60341 2/20 0.44
OPRK1 P41145 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
SCHEMBL27826344 0.85 OPRL1 (0.50) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL22112097 0.84 OPRM1 (0.49) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3922847 0.82 OPRL1 (0.47) OPRL1OPRM1OPRK1
SCHEMBL4344782 0.81 SLC6A4 (0.62) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
Iodide SCHEMBL11093021 0.81 OPRL1 (0.46) OPRL1OPRM1SLC6A2SLC6A3OPRK1
SCHEMBL11095398 0.81 SLC6A3 (0.47) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL11074012 0.81 OPRM1 (0.43) OPRL1OPRM1SLC6A2SLC6A4OPRK1
SCHEMBL31067218 0.80 MEN1 (0.43) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL9729638 0.80 MEN1 (0.60) OPRL1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL517788 0.80 OPRM1 (0.44) OPRL1OPRM1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020120606-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 WO disclosed
WO-2020120539-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 WO disclosed
EP-2740476-B1 Cis-tetrahydro-spiro(cyclohexan-1,1'-pyrido[3,4-b]indol)-4-amine derivatives GRUENENTHAL GMBH (DE) 2018-12-05 EP disclosed
EP-2502907-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2018-08-29 EP disclosed
US-9862719-B2 Process or preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds GRUENENTHAL GMBH (DE) 2018-01-09 US disclosed
EP-2518052-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
US-20170313703-A1 Cis-tetrahydro-spiro(cyclohexane-1,1?-pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2017-11-02 US 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-20160159787-A1 Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2016-06-09 US disclosed
US-7547707-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2009-06-16 US disclosed
EP-2062898-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-05-27 EP disclosed
EP-1697379-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-03-25 EP disclosed
US-7288560-B2 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2007-10-30 US disclosed
EP-1697379-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2006-09-06 EP disclosed
US-20060004034-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2006-01-05 US disclosed
US-20050187281-A1 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2005-08-25 US disclosed
EP-1560835-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2005063769-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2005-07-14 WO disclosed
WO-2004043967-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 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-20060004034-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, HSD17B7 OPRL1 470/4885OPRM1 1225/4885SLC6A2 3151/4885
US-20170313703-A1 Cis-tetrahydro-spiro(cyclohexane-1,1?-pyrido[3,4-b]indole)-4-amine Compounds OPRL1, OPRK1, OPRM1 OPRL1 1/4885OPRM1 3/4885SLC6A2 1311/4885
US-20160159787-A1 Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds OPRL1, OPRK1, OPRM1 OPRL1 1/4885OPRM1 3/4885SLC6A2 1351/4885
US-20050187281-A1 Spirocyclic cyclohexane derivatives PKD2, PKD1, VKORC1 OPRL1 781/4885OPRM1 1427/4885SLC6A2 3532/4885

“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.