SCHEMBL13453034

SCHEMBL13453034

CC[C@H](Cc1ccccc1)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
ADRA1A P35348 2/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
SIGMAR1 Q99720 3/20 0.48
TRPA1 O75762 1/20 0.47
MAOB P27338 6/20 0.46
MAOA P21397 3/20 0.46
CYP1A2 P05177 2/20 0.46
ADRA2A P08913 1/20 0.46
SNCA P37840 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
OPRD1 P41143 5/20 0.45

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
SCHEMBL13453338 1.00 OPRK1 (0.52) OPRK1ADRA2BADRA2CADRA1ASLC6A2
SCHEMBL9915838 1.00 OPRK1 (0.52) OPRK1ADRA2BADRA2CADRA1ASLC6A2
Hydrochloric Acid SCHEMBL5084997 0.98 OPRK1 (0.50) OPRK1ADRA2BADRA2CADRA1ASLC6A2
Bromide SCHEMBL5088614 0.98 OPRK1 (0.50) OPRK1ADRA2BADRA2CADRA1ASLC6A2
Iodide SCHEMBL5091518 0.98 OPRK1 (0.50) OPRK1ADRA2BADRA2CADRA1ASLC6A2
SCHEMBL13453010 0.83 ADRA2B (0.53) OPRK1ADRA2BADRA2CADRA1ASLC6A2
SCHEMBL11117786 0.83 OPRK1 (0.48) OPRK1ADRA2BADRA2CADRA1ASLC6A2
SCHEMBL14668900 0.83 AOC3 (0.47) OPRK1ADRA2BADRA2CADRA1ASLC6A2
SCHEMBL28215621 0.83 SLC6A2 (0.44) OPRK1ADRA2BADRA2CADRA1ASLC6A2
Iodide SCHEMBL5092821 0.82 OPRK1 (0.47) OPRK1ADRA2BADRA2CADRA1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 OPRK1 161/4885ADRA2B 24/4885ADRA2C 25/4885

“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.