SCHEMBL2784514

SCHEMBL2784514

CN(C)C1(c2ccccc2)CCC(=CC(=O)N2CCCC(c3c[nH]c4ccccc34)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.55
▸ KDM4E B2RXH2 2/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ OPRL1 P41146 6/20 0.43
▸ OPRM1 P35372 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ GABRA1 P14867 3/20 0.39
▸ GABRG2 P18507 3/20 0.39
▸ GABRB3 P28472 3/20 0.39
▸ GABRA3 P34903 3/20 0.39
▸ GABRA2 P47869 3/20 0.39
▸ GABRB2 P47870 3/20 0.39

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 SCHEMBL2782823 0.99 HSD11B1 (0.55) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL2782836 0.96 HSD11B1 (0.61) HSD11B1KDM4EBRD4ALDH1A1POLB
Hydrochloric Acid SCHEMBL2784606 0.95 HSD11B1 (0.60) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL2781867 0.90 HSD11B1 (0.56) HSD11B1KDM4EBRD4ALDH1A1POLB
Hydrochloric Acid SCHEMBL2780532 0.89 HSD11B1 (0.55) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL2779499 0.89 HSD11B1 (0.53) HSD11B1KDM4EBRD4ALDH1A1POLB
Hydrochloric Acid SCHEMBL2779810 0.88 HSD11B1 (0.52) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL2783326 0.81 HSD11B1 (0.56) HSD11B1KDM4EBRD4ALDH1A1POLB
Hydrochloric Acid SCHEMBL2782759 0.81 HSD11B1 (0.55) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL2781247 0.80 OPRM1 (0.48) HSD11B1KDM4EBRD4ALDH1A1POLB

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 HSD11B1 1807/4885KDM4E 3884/4885BRD4 3040/4885

“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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