SCHEMBL2515981

SCHEMBL2515981

CN(C)C1(C)CCCCC1(O)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.49
▸ SLC6A4 P31645 8/20 0.49
▸ SLC6A2 P23975 6/20 0.49
▸ OPRK1 P41145 5/20 0.49
▸ OPRD1 P41143 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SLC22A1 O15245 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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 SCHEMBL2518902 0.98 OPRM1 (0.48) OPRM1SLC6A4SLC6A2OPRK1OPRD1
Hydrochloric Acid SCHEMBL2518903 0.98 OPRM1 (0.48) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL11323565 0.83 OPRM1 (0.47) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL150238 0.82 OPRL1 (0.44) OPRM1SLC6A4SLC6A2OPRK1
SCHEMBL11325596 0.81 OPRM1 (0.46) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL8434812 0.81 SLC6A2 (0.52) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL5516837 0.81 SLC6A2 (0.52) OPRM1SLC6A4SLC6A2OPRK1OPRD1
SCHEMBL11316996 0.79 OPRD1 (0.46) OPRM1SLC6A4SLC6A2OPRK1OPRD1
Hydrochloric Acid SCHEMBL11316784 0.78 OPRD1 (0.45) OPRM1SLC6A4SLC6A2OPRK1OPRD1
Hydrochloric Acid SCHEMBL6780753 0.75 OPRK1 (0.46) OPRM1SLC6A4SLC6A2OPRK1OPRD1

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-20110251286-A1 Crystalline salts and/or co-crystals of O-desmethyltramadol GRUENENTHAL GMBH (DE) 2011-10-13 — — US disclosed
US-20110251286-A1 Crystalline salts and/or co-crystals of O-desmethyltramadol GRUENENTHAL GMBH (DE) 2011-10-13 — — US disclosed
CN-1176902-C New esters derived from substituted phenyl-cyclohexyl compounds ά��ʵ�������޹�˾ 2004-11-24 — — CN disclosed
CN-1414946-A Novel esters derived from (RR,SS)-2-hydroxybenzoate of 3-(2-dimethylaminomethyl-1-hydroxy cyclohexyl) phenyl VITA INVEST SA (ES) 2003-04-30 — — CN disclosed
CN-1325377-A Novel esters derived from substituted phenyl-cyclohexyl compounds VITA INVEST SA (ES) 2001-12-05 — — CN 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-20110251286-A1 Crystalline salts and/or co-crystals of O-desmethyltramadol ME3, ME1, SLC16A1 OPRM1 411/4885SLC6A4 1588/4885SLC6A2 1679/4885

“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.

Send feedback