SCHEMBL7535828

SCHEMBL7535828

COC(=O)N1CCc2[nH]cnc2C1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.47
FASN P49327 1/20 0.41
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX7 Q99572 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL10325666 0.84 AOC3 (0.47) AOC3FASNALDH1A1POLBSMN1; SMN2
SCHEMBL7534038 0.81 AOC3 (0.49) AOC3FASNRAB9ALMNAMEN1
SCHEMBL7529041 0.80 AOC3 (0.61) AOC3SMN1; SMN2RAB9ACYP2C19
SCHEMBL20852706 0.77 AOC3 (0.50) AOC3RAB9ACYP3A4CYP2C19CYP1A2
SCHEMBL22915876 0.77 AOC3 (0.50) AOC3RAB9ACYP3A4CYP2C19CYP1A2
Trifluoroacetic Acid SCHEMBL7530146 0.76 AOC3 (0.45) AOC3ALDH1A1POLBCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL7525401 0.75 AOC3 (0.43) AOC3CYP3A4CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL7525097 0.75 AOC3 (0.48) AOC3ALDH1A1POLBRAB9ALMNA
SCHEMBL12082599 0.72 RAB9A (0.38) AOC3FASNALDH1A1POLBRAB9A
SCHEMBL7534337 0.70 AOC3 (0.56) AOC3ALDH1A1POLBKDM4ELMNA

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 1/4885FASN 2585/4885TSHR 911/4885

“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.