SCHEMBL517453

SCHEMBL517453

CN(C)C1(c2cccc(F)c2)CCC2(CC1)NCCc1c2[nH]c2ccc(F)cc12

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.86
OGFRL1 Q5TC84 10/20 0.86
OPRL1 P41146 6/20 0.65
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
CFTR P13569 5/20 0.48

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
SCHEMBL10038865 1.00 OPRM1 (0.86) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10038869 0.93 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL517231 0.93 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10038858 0.92 OPRM1 (0.78) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL517410 0.92 OPRM1 (0.78) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10038873 0.92 OPRM1 (0.78) OPRM1OGFRL1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL1304293 0.92 OPRM1 (0.98) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL681585 0.84 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2437679 0.83 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436878 0.83 OPRM1 (0.64) OPRM1OGFRL1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20160159787-A1 Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2016-06-09 US disclosed
EP-2740476-A1 Cis-tetrahydro-spiro(cyclohexan-1,1'-pyrido[3,4-b]indol)-4-amine derivatives Grünenthal GmbH (DE) 2014-06-11 EP disclosed
EP-2598503-B1 CIS-TETRAHYDRO-SPIRO(CYCLOHEXAN-1,1'-PYRIDO[3,4-B]INDOL)-4-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-03-26 EP disclosed
US-20120029006-A1 Cis-tetrahydro-spiro(cyclohexane-1,1'-pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2012-02-02 US 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-20170313703-A1 Cis-tetrahydro-spiro(cyclohexane-1,1?-pyrido[3,4-b]indole)-4-amine Compounds OPRL1, OPRK1, OPRM1 OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885
US-20160159787-A1 Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds OPRL1, OPRK1, OPRM1 OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885
US-20120029006-A1 Cis-tetrahydro-spiro(cyclohexane-1,1'-pyrido[3,4-b]indole)-4-amine Compounds OPRL1, OPRK1, OPRM1 OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885

“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.