SCHEMBL2779776

SCHEMBL2779776

CN(C)C1(c2ccccc2)CCC(=CC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LMNA P02545 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TDO2 P48775 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 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 SCHEMBL2781805 1.00 MAPT (0.49) MAPTTP53LMNAKDM4EALOX15
Hydrochloric Acid SCHEMBL2781878 0.89 DRD2 (0.51) MAPTKDM4EHTR1ASLC6A4HTR6
SCHEMBL2780682 0.89 DRD2 (0.51) MAPTKDM4EHTR1ASLC6A4HTR6
Hydrochloric Acid SCHEMBL2780532 0.79 HSD11B1 (0.55) KDM4EPOLB
SCHEMBL2782427 0.79 MAPT (0.53) MAPTTP53LMNAKDM4EALOX15
SCHEMBL2781867 0.78 HSD11B1 (0.56) KDM4EPOLB
Hydrochloric Acid SCHEMBL2784606 0.78 HSD11B1 (0.60) KDM4EPOLB
Hydrochloric Acid SCHEMBL2782823 0.77 HSD11B1 (0.55) KDM4EPOLB
SCHEMBL2782836 0.77 HSD11B1 (0.61) KDM4EPOLB
SCHEMBL2784514 0.76 HSD11B1 (0.55) KDM4EPOLB

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
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

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 MAPT 2069/4885TP53 4395/4885LMNA 4312/4885

“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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