SCHEMBL2779077

SCHEMBL2779077

CN(C)C1(c2ccccc2)CCC(N2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 13/20 1.00
▸ OPRM1 P35372 8/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MBTD1 Q05BQ5 1/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DPP4 P27487 1/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ SLC18A3 Q16572 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44

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 SCHEMBL2784498 0.98 OPRL1 (1.00) OPRL1OPRM1OPRK1CYP2D6CYP2C19
SCHEMBL4352646 0.98 OPRL1 (0.97) OPRL1OPRM1OPRK1MBTD1L3MBTL3
Hydrochloric Acid SCHEMBL11077198 0.97 OPRL1 (0.97) OPRL1OPRM1OPRK1MBTD1L3MBTL3
Hydrochloric Acid SCHEMBL11078593 0.95 OPRL1 (0.94) OPRL1OPRM1OPRK1MBTD1L3MBTL3
Hydrochloric Acid SCHEMBL11075754 0.84 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL11061930 0.80 OPRL1 (0.67) OPRL1OPRM1CYP2D6CYP2C19MBTD1
SCHEMBL2779771 0.77 OPRL1 (0.60) OPRL1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL2781838 0.76 OPRL1 (0.61) OPRL1OPRM1CYP2D6
SCHEMBL2782210 0.75 OPRL1 (0.78) OPRL1OPRM1OPRK1
SCHEMBL4562996 0.75 OPRL1 (0.60) OPRL1OPRM1OPRK1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 — — US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 — — 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 (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 OPRL1 1/4885OPRM1 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.

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