SCHEMBL3218308

SCHEMBL3218308

C=CCN(C)C1(Cc2ccccc2)CCC(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.41
OPRL1 P41146 8/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33

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
SCHEMBL22540282 0.82 OPRM1 (0.45) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL208815 0.82 OPRM1 (0.58) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL11095750 0.77 OPRM1 (0.46) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL3218235 0.76 OPRM1 (0.53) OPRM1OPRL1OPRK1
Iodide SCHEMBL11098621 0.76 OPRM1 (0.44) OPRM1OPRL1OPRK1MEN1KMT2A
Hydrochloric Acid SCHEMBL3216972 0.76 OPRM1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL6571116 0.72 OPRL1 (0.49) OPRM1OPRL1OPRK1
SCHEMBL1303916 0.70 OPRM1 (0.44) OPRM1OPRL1OPRK1L3MBTL1MEN1
SCHEMBL3413567 0.69 OPRL1 (0.61) OPRM1OPRL1OPRK1MEN1KMT2A
Ethylene SCHEMBL11093828 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US disclosed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP disclosed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US disclosed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 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-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 OPRM1 6/4885OPRL1 4/4885OPRK1 3/4885

“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.