SCHEMBL2782154

SCHEMBL2782154

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.58
▸ OPRM1 P35372 4/20 0.51
▸ OPRL1 P41146 4/20 0.51
▸ CHRM4 P08173 1/20 0.47
▸ OPRK1 P41145 2/20 0.44
▸ CCR2 P41597 1/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR1F P30939 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ HTR7 P34969 1/20 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
Citric Acid SCHEMBL2782615 0.93 HSD11B1 (0.51) HSD11B1OPRM1OPRL1CHRM4OPRK1
SCHEMBL2784645 0.91 HSD11B1 (0.57) HSD11B1OPRM1OPRL1OPRK1HTR1A
SCHEMBL2780254 0.90 OPRM1 (0.49) HSD11B1OPRM1OPRL1CHRM4OPRK1
SCHEMBL2778462 0.90 CHRM4 (0.57) HSD11B1OPRM1OPRL1CHRM4CCR2
SCHEMBL2781045 0.89 MTNR1A (0.47) HSD11B1CHRM4HTR1AHTR7
SCHEMBL4700535 0.88 HSD11B1 (0.51) HSD11B1OPRM1OPRL1OPRK1HTR1A
SCHEMBL2781514 0.88 HSD11B1 (0.60) HSD11B1OPRM1OPRL1OPRK1CCR2
Hydrochloric Acid SCHEMBL2782167 0.87 HSD11B1 (0.59) HSD11B1OPRM1OPRL1OPRK1CCR2
Citric Acid SCHEMBL2778369 0.85 HSD11B1 (0.51) HSD11B1OPRM1OPRL1HTR1A
SCHEMBL2780700 0.85 HSD11B1 (0.59) HSD11B1OPRM1OPRL1CHRM4CCR2

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-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 1807/4885OPRM1 2/4885OPRL1 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.

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