SCHEMBL7527574

SCHEMBL7527574

O=C(OCc1ccccc1)N1CCc2[nH]cnc2C1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.57
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
PARP1 P09874 1/20 0.42
GRIN2B Q13224 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR2C P28335 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL11490292 0.89 AOC3 (0.58) AOC3PSEN1PSEN2APH1BNCSTN
SCHEMBL7528650 0.88 AOC3 (0.51) AOC3PSEN1PSEN2APH1BNCSTN
SCHEMBL7533404 0.88 AOC3 (0.51) AOC3PSEN1PSEN2APH1BNCSTN
SCHEMBL7568713 0.86 AOC3 (0.49) AOC3PSEN1PSEN2APH1BNCSTN
SCHEMBL7529041 0.86 AOC3 (0.61) AOC3PARP1NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL7529674 0.85 AOC3 (0.54) AOC3PARP1HTR2CPTGDR2
Trifluoroacetic Acid SCHEMBL7528873 0.83 AOC3 (0.52) AOC3PARP1HTR2CPTGDR2
SCHEMBL1971755 0.83 AOC3 (0.80) AOC3PARP1HTR2CPTGDR2
Oxalic Acid SCHEMBL6421435 0.82 AOC3 (0.55) AOC3PSEN1PSEN2APH1BNCSTN
Trifluoroacetic Acid SCHEMBL7529917 0.80 AOC3 (0.52) AOC3PARP1PTGDR2

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 1/4885PSEN1 2429/4885PSEN2 2450/4885

“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.