SCHEMBL2780700

SCHEMBL2780700

CN(C)C1(c2ccccc2)CCC(CNC(=O)N2CCC(c3c[nH]c4ccccc34)C2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.59
▸ CHRM4 P08173 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CREBBP Q92793 1/20 0.49
▸ ATM Q13315 1/20 0.47
▸ OPRL1 P41146 6/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ CCR2 P41597 1/20 0.43
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL2782069 0.96 HSD11B1 (0.54) HSD11B1CHRM4KDM4EBRD4ALDH1A1
SCHEMBL2778462 0.95 CHRM4 (0.57) HSD11B1CHRM4KDM4EBRD4ALDH1A1
Citric Acid SCHEMBL2783385 0.92 HSD11B1 (0.51) HSD11B1CHRM4KDM4EBRD4ALDH1A1
Citric Acid SCHEMBL2779516 0.89 HSD11B1 (0.47) HSD11B1CHRM4KDM4EBRD4ALDH1A1
Citric Acid SCHEMBL2783091 0.87 CHRM4 (0.52) HSD11B1CHRM4KDM4EBRD4ALDH1A1
SCHEMBL2781789 0.87 HSD11B1 (0.62) HSD11B1CHRM4KDM4EBRD4ALDH1A1
SCHEMBL2784645 0.86 HSD11B1 (0.57) HSD11B1OPRL1OPRM1
Methyl Alcohol SCHEMBL2782182 0.86 HSD11B1 (0.61) HSD11B1CHRM4KDM4EBRD4ALDH1A1
Hydrochloric Acid SCHEMBL2781287 0.86 HSD11B1 (0.61) HSD11B1CHRM4KDM4EBRD4ALDH1A1
SCHEMBL4700555 0.86 HSD11B1 (0.50) HSD11B1CHRM4KDM4EBRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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

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 HSD11B1 1807/4885CHRM4 120/4885KDM4E 3884/4885

“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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