SCHEMBL619655

SCHEMBL619655

CN(C)CC1CCCCC1c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.45
SLC6A2 P23975 5/20 0.45
SLC6A3 Q01959 3/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR2 Q92731 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HDAC1 Q13547 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL147285 0.83 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL1841972 0.83 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL1841974 0.83 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Faxeladol SCHEMBL5686250 0.81 SLC6A4 (0.50) SLC6A4SLC6A2MEN1KMT2AOPRM1
Faxeladol SCHEMBL28793358 0.81 SLC6A4 (0.50) SLC6A4SLC6A2MEN1KMT2AOPRM1
Faxeladol SCHEMBL354208 0.81 SLC6A4 (0.50) SLC6A4SLC6A2MEN1KMT2AOPRM1
Faxeladol SCHEMBL149508 0.81 SLC6A4 (0.50) SLC6A4SLC6A2MEN1KMT2AOPRM1
Faxeladol SCHEMBL149507 0.81 SLC6A4 (0.50) SLC6A4SLC6A2MEN1KMT2AOPRM1
Faxeladol SCHEMBL616828 0.81 SLC6A4 (0.50) SLC6A4SLC6A2MEN1KMT2AOPRM1
Faxeladol SCHEMBL30616185 0.81 SLC6A4 (0.50) SLC6A4SLC6A2MEN1KMT2AOPRM1

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
CN-101262857-A 3-(2-dimethylaminomethyl cyclohexyl) phenol retard formulation GRUENENTHAL GMBH (DE) 2008-09-10 CN claimed
US-20120039963-A1 3-(2-Dimethlaminomethyl Cyclohexyl)Phenol Retard Formulation GRUENENTHAL GMBH (DE) 2012-02-16 US disclosed
CN-1697651-B 1-phenyl-2-dimethylaminomethyl cyclohexane compounds and therapies for depressive symptoms, pain and incontinence KRAUSE GEORG 2011-09-21 CN disclosed
CN-101412681-A Method for preparing 3-(2-dimethyl aminomethyl-cyclohexyl)-phenol acetic ester hydrochloride UNIV TONGJI (CN) 2009-04-22 CN disclosed
CN-1697651-A 1-phenyl-2-dimethylaminomethyl cyclohexane compounds and therapies for depressive symptoms, pain and incontinence KRAUSE GEORG (DE) 2005-11-16 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-20120039963-A1 3-(2-Dimethlaminomethyl Cyclohexyl)Phenol Retard Formulation MC2R, MC3R, HTR3C SLC6A4 1653/4885SLC6A2 582/4885SLC6A3 481/4885

“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.