SCHEMBL2779210

SCHEMBL2779210

CN(C)C1(c2ccccc2)CCC(N2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.54
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 4/20 0.46
DRD2 P14416 6/20 0.45
HTR1A P08908 5/20 0.42
HTR7 P34969 4/20 0.42
HTR6 P50406 4/20 0.42

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
Hydrochloric Acid SCHEMBL2780942 1.00 SLC6A4 (0.54) SLC6A4OPRM1OPRK1OPRL1DRD2
SCHEMBL2781828 0.89 HTR1A (0.53) SLC6A4OPRM1OPRL1DRD2HTR1A
Hydrochloric Acid SCHEMBL2779321 0.89 HTR1A (0.53) SLC6A4OPRM1OPRL1DRD2HTR1A
Hydrochloric Acid SCHEMBL2779988 0.88 HTR1A (0.56) SLC6A4OPRL1DRD2HTR1AHTR6
SCHEMBL2780912 0.88 HTR1A (0.56) SLC6A4OPRL1DRD2HTR1AHTR6
SCHEMBL13228814 0.82 MAPT (0.51) SLC6A4OPRM1OPRK1DRD2HTR1A
Hydrochloric Acid SCHEMBL2780984 0.81 OPRL1 (0.56) SLC6A4OPRM1OPRK1OPRL1HTR1A
Hydrochloric Acid SCHEMBL2780538 0.80 MAPT (0.49) SLC6A4OPRM1OPRK1DRD2HTR1A
SCHEMBL2784123 0.80 MAPT (0.49) SLC6A4OPRM1OPRK1DRD2HTR1A
SCHEMBL2781470 0.79 OPRL1 (0.57) SLC6A4OPRM1OPRK1OPRL1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 EP claimed
US-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2005-12-15 US claimed
US-7759385-B2 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2010-07-20 US disclosed
US-7759385-B2 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2010-07-20 US disclosed
US-7759385-B2 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2010-07-20 US disclosed
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 EP disclosed
US-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2005-12-15 US disclosed
EP-1560823-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2004043949-A1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS 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 (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-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands OPRL1, OPRM1, OGFRL1 SLC6A4 1068/4885OPRM1 2/4885OPRK1 5/4885

“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.