SCHEMBL7527430

SCHEMBL7527430

COC(C)OC(=O)N1CCc2[nH]cnc2C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.52
RAB9A P51151 2/20 0.39
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HHAT Q5VTY9 3/20 0.33
CYP2D6 P10635 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CHRM3 P20309 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7525097 0.81 AOC3 (0.48) AOC3RAB9ATRPV1ALDH1A1POLB
SCHEMBL7527434 0.81 AOC3 (0.63) AOC3RAB9ATRPV1ALDH1A1NPC1
SCHEMBL11516529 0.81 AOC3 (0.51) AOC3RAB9AHHAT
SCHEMBL7534329 0.80 AOC3 (0.48) AOC3ALDH1A1POLB
SCHEMBL11515027 0.78 AOC3 (0.47) AOC3RAB9ATRPV1HHAT
SCHEMBL7570588 0.78 AOC3 (0.46) AOC3RAB9ATRPV1ALDH1A1CHRM3
SCHEMBL7528894 0.78 AOC3 (0.46) AOC3ALDH1A1POLB
SCHEMBL11516190 0.75 AOC3 (0.45) AOC3RAB9AALDH1A1HHATLMNA
Trifluoroacetic Acid SCHEMBL7570585 0.75 AOC3 (0.44) AOC3RAB9AALDH1A1HHAT
Trifluoroacetic Acid SCHEMBL7529917 0.74 AOC3 (0.52) AOC3

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-20020198189-A1 Treatment or prophylaxis of Semicarbazide-sensitive amine oxidase (SSAO) mediated complications in mammals including humans BIOVITRUM AB (SE) 2002-12-26 US disclosed
WO-2002038153-A1 NEW USE OF 4, 5, 6, 7-TETRAHYDROIMIDAZO-[4,5-C]PYRIDINE DERIVATIVES BIOVITRUM AB (SE) 2002-05-16 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-20020198189-A1 Treatment or prophylaxis of Semicarbazide-sensitive amine oxidase (SSAO) mediated complications in mammals including humans AOC3, AOC2, AOC1 AOC3 1/4885RAB9A 3795/4885TRPV1 4576/4885

“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.