SCHEMBL1228262

SCHEMBL1228262

CC(Cc1cccc(Cl)c1)NC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.59
OPRK1 P41145 3/20 0.48
SLC6A2 P23975 2/20 0.48
HRH1 P35367 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KCNH2 Q12809 2/20 0.48
SLC6A4 P31645 2/20 0.48
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
ITGA5 P08648 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRND Q07001 1/20 0.48
ALDH1A1 P00352 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL7704772 1.00 PNMT (0.59) PNMTOPRK1SLC6A2HRH1SLC6A3
Hydrochloric Acid SCHEMBL7714557 0.98 PNMT (0.57) PNMTOPRK1SLC6A2HRH1SLC6A3
SCHEMBL1226845 0.84 CYP2B6 (0.56) PNMTOPRK1SLC6A2HRH1SLC6A3
SCHEMBL7570310 0.84 PNMT (0.47) PNMTOPRK1SLC6A2HRH1SLC6A3
SCHEMBL178510 0.81 PNMT (0.65) PNMTSLC6A2SLC6A3SLC6A4TAAR1
SCHEMBL7692070 0.80 PNMT (0.50) PNMTOPRK1SLC6A2HRH1SLC6A3
SCHEMBL7696707 0.80 PNMT (0.50) PNMTOPRK1SLC6A2HRH1SLC6A3
SCHEMBL7693446 0.80 PNMT (0.50) PNMTOPRK1SLC6A2HRH1SLC6A3
Hydrochloric Acid SCHEMBL23524229 0.79 PNMT (0.62) PNMTSLC6A2SLC6A3SLC6A4TAAR1
SCHEMBL10395509 0.79 PNMT (0.68) PNMTTAAR1SLC2A1CHRM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464345-A2 TREATMENT OF VIRAL INFECTIONS Biocopea Limited (GB) 2012-06-20 EP claimed
WO-2011018653-A2 TREATMENT OF VIRAL INFECTIONS BIOCOPEA LIMITED (GB) 2011-02-17 WO claimed
WO-2015095713-A1 METHODS OF TREATING NEUROLOGICAL AND OTHER DISORDERS USING ENANTIOPURE DEUTERIUM-ENRICHED BUPROPION DEUTERX, LLC (US) 2015-06-25 WO disclosed
EP-2464345-A2 TREATMENT OF VIRAL INFECTIONS Biocopea Limited (GB) 2012-06-20 EP disclosed
WO-2011018653-A2 TREATMENT OF VIRAL INFECTIONS BIOCOPEA LIMITED (GB) 2011-02-17 WO disclosed
US-20100125070-A1 Bupropion Metabolites and Methods of Their Synthesis and Use FANG KEVIN QUN 2010-05-20 US disclosed
US-6387956-B1 ADMINISTERING TRAMADOL UNIVERSITY OF CINCINNATI 2002-05-14 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 (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-20100125070-A1 Bupropion Metabolites and Methods of Their Synthesis and Use MAOB, MAOA, HTR5A PNMT 51/4885OPRK1 154/4885SLC6A2 6/4885

“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.