SCHEMBL21914531

SCHEMBL21914531

CCn1nc(-c2ccc(O)cc2)nc1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.57
NR1H3 Q13133 2/20 0.40
NR1H2 P55055 1/20 0.40
ESR2 Q92731 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
USP7 Q93009 1/20 0.35

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
SCHEMBL22139719 0.89 AOC3 (0.47) AOC3NR1H3ADORA3ADORA2AUSP7
SCHEMBL21889547 0.84 AOC3 (0.57) AOC3ESR2MEN1NPC1RAB9A
SCHEMBL21889504 0.82 AOC3 (0.60) AOC3ESR2MEN1NPC1RAB9A
SCHEMBL21914805 0.80 AOC3 (0.53) AOC3NR1H3NR1H2ESR2MEN1
SCHEMBL21914530 0.79 AOC3 (0.59) AOC3MEN1NPC1KMT2ATP53
SCHEMBL21915136 0.77 AOC3 (0.56) AOC3ESR2MEN1NPC1RAB9A
SCHEMBL23343909 0.72 AOC3 (0.57) AOC3NR1H3NR1H2TRPM8MEN1
SCHEMBL21914583 0.71 AOC3 (0.57) AOC3MEN1NPC1RAB9AKMT2A
SCHEMBL21889311 0.71 AOC3 (0.60) AOC3NR1H3NR1H2TRPM8MEN1
SCHEMBL21889061 0.69 AOC3 (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP 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-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 AOC3 53/4885NR1H3 2713/4885NR1H2 2823/4885

“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.