SCHEMBL2781247

SCHEMBL2781247

CN(C)C1(c2ccccc2)CCC(=CC(=O)N2CCC(c3c[nH]c4ccc(Cl)cc34)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ OPRL1 P41146 1/20 0.48
▸ HSD11B1 P28845 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ AVPR1A P37288 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CCR2 P41597 9/20 0.40
▸ KIF11 P52732 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38

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 SCHEMBL2781074 0.99 OPRM1 (0.48) OPRM1OPRK1OPRL1HSD11B1KDM4E
SCHEMBL2781867 0.90 HSD11B1 (0.56) HSD11B1KDM4EBRD4ALDH1A1POLB
Hydrochloric Acid SCHEMBL2780532 0.89 HSD11B1 (0.55) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL2782836 0.84 HSD11B1 (0.61) OPRM1OPRL1HSD11B1KDM4EBRD4
Hydrochloric Acid SCHEMBL2784606 0.84 HSD11B1 (0.60) OPRM1OPRL1HSD11B1KDM4EBRD4
SCHEMBL2781285 0.82 OPRM1 (0.49) OPRM1OPRK1OPRL1HSD11B1KDM4E
Hydrochloric Acid SCHEMBL2780988 0.82 OPRM1 (0.48) OPRM1OPRK1OPRL1HSD11B1KDM4E
SCHEMBL2784514 0.80 HSD11B1 (0.55) OPRM1OPRL1HSD11B1KDM4EBRD4
SCHEMBL2780254 0.80 OPRM1 (0.49) OPRM1OPRK1OPRL1HSD11B1KDM4E
SCHEMBL2781470 0.80 OPRL1 (0.57) OPRM1OPRK1OPRL1HSD11B1SLC6A4

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 OPRM1 2/4885OPRK1 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.

Send feedback