SCHEMBL12233993

SCHEMBL12233993

COc1cccc([C@]2(O)CCCC[C@H]2CN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.72
SLC6A4 P31645 9/20 0.72
OPRM1 P35372 7/20 0.72
OPRK1 P41145 6/20 0.72
OPRD1 P41143 5/20 0.72
SLC22A1 O15245 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CHRM2 P08172 1/20 0.72
CHRM1 P11229 1/20 0.72
HTR3A P46098 2/20 0.48
HTR4 Q13639 1/20 0.48

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
SCHEMBL11155426 1.00 SLC6A2 (0.72) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL11150421 0.91 SLC6A2 (0.74) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL1593740 0.84 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL57495 0.84 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL6543836 0.84 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL12831358 0.84 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL5318670 0.84 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL3265792 0.84 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL11984200 0.84 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRK1OPRD1
(R,R)-Tramadol SCHEMBL730723 0.84 SLC6A2 (1.00) SLC6A2SLC6A4OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296414-A1 1-Phenyl-2-Dimethylaminomethyl Cyclohexane Compounds And Therapies For Depressive Symptoms, Pain and Incontinence GRUENENTHAL GMBH (DE) 2013-11-07 US disclosed
US-20110263699-A1 1-Phenyl-2-DimethylaminomethylCyclohexane Compounds and Therapies for Depressive Symptoms, Pain and Incontinence GRUENENTHAL GMBH (DE) 2011-10-27 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 (2 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-20130296414-A1 1-Phenyl-2-Dimethylaminomethyl Cyclohexane Compounds And Therapies For Depressive Symptoms, Pain and Incontinence PNMT, HNMT, OPRM1 SLC6A2 136/4885SLC6A4 109/4885OPRM1 3/4885
US-20110263699-A1 1-Phenyl-2-DimethylaminomethylCyclohexane Compounds and Therapies for Depressive Symptoms, Pain and Incontinence PNMT, HNMT, OPRM1 SLC6A2 168/4885SLC6A4 132/4885OPRM1 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.