SCHEMBL726240

SCHEMBL726240

COc1cccc(C2CCCCC2(O)C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC22A1 O15245 3/20 0.43
OPRM1 P35372 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
HTR2C P28335 2/20 0.42
SLC6A3 Q01959 1/20 0.40
USP30 Q70CQ3 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GID4 Q8IVV7 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL727307 0.78 HTR2C (0.41) KDM1ARCOR1SLC6A2SLC6A4KMT2A
SCHEMBL7073756 0.75 SLC6A4 (0.52) KDM1ARCOR1SLC6A2SLC6A4SLC22A1
SCHEMBL6901332 0.75 SLC6A4 (0.52) KDM1ARCOR1SLC6A2SLC6A4SLC22A1
SCHEMBL9006877 0.73 KDM1A (0.42) KDM1ARCOR1SLC6A2SLC6A4SLC22A1
SCHEMBL29895223 0.70 TSHR (0.40) KDM1AOPRM1KMT2AMEN1ALDH1A1
SCHEMBL7220576 0.70 ALDH1A1 (0.43) KDM1ARCOR1KMT2AMEN1HTR2C
SCHEMBL6851765 0.69 SLC6A4 (0.60) SLC6A2SLC6A4SLC22A1OPRM1KMT2A
SCHEMBL6851762 0.69 SLC6A4 (0.60) SLC6A2SLC6A4SLC22A1OPRM1KMT2A
SCHEMBL6851754 0.69 SLC6A4 (0.60) SLC6A2SLC6A4SLC22A1OPRM1KMT2A
SCHEMBL6851749 0.69 SLC6A4 (0.60) SLC6A2SLC6A4SLC22A1OPRM1KMT2A

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-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
US-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds GRUENENTHAL GMBH (DE) 2011-12-01 US disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 WO disclosed
WO-2011147576-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2011-12-01 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-20110295038-A1 Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds ADRM1, PNMT, ACMSD KDM1A 117/4885RCOR1 3690/4885SLC6A2 1892/4885

“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.