SCHEMBL2781045

SCHEMBL2781045

COc1ccc2[nH]cc(C3CCN(C(=O)NCC4CCC(c5ccccc5)(N(C)C)CC4)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ HSD11B1 P28845 3/20 0.47
▸ CHRM4 P08173 1/20 0.46
▸ HTR4 Q13639 1/20 0.45
▸ DRD2 P14416 2/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HTR1A P08908 4/20 0.43
▸ SLC6A4 P31645 4/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 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 SCHEMBL2782100 0.93 CHRM4 (0.42) MTNR1AMTNR1BHSD11B1CHRM4HTR4
SCHEMBL4699899 0.89 MTNR1A (0.44) MTNR1AMTNR1BHSD11B1HTR4DRD2
SCHEMBL2782154 0.89 HSD11B1 (0.58) HSD11B1CHRM4HTR1AHTR7
SCHEMBL2780254 0.89 OPRM1 (0.49) HSD11B1CHRM4SLC6A4
SCHEMBL2778462 0.89 CHRM4 (0.57) HSD11B1CHRM4
SCHEMBL2780443 0.88 MTNR1A (0.49) MTNR1AMTNR1BHSD11B1DRD2DRD3
Hydrochloric Acid SCHEMBL2782544 0.87 MTNR1A (0.49) MTNR1AMTNR1BHSD11B1DRD2DRD3
SCHEMBL2780700 0.84 HSD11B1 (0.59) HSD11B1CHRM4
Citric Acid SCHEMBL4701377 0.83 DRD2 (0.40) MTNR1AMTNR1BHSD11B1HTR4DRD2
SCHEMBL2781043 0.83 HTR1A (0.50) DRD2DRD3HTR1ASLC6A4HTR2A

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 MTNR1A 253/4885MTNR1B 304/4885HSD11B1 1807/4885

“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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