SCHEMBL22725915

SCHEMBL22725915

N#Cc1ccc(N2CCc3cc(O)ccc3C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 5/20 0.57
▸ MIF P14174 1/20 0.51
▸ LRRK2 Q5S007 1/20 0.50
▸ MAOA P21397 3/20 0.46
▸ MAOB P27338 3/20 0.46
▸ HRH3 Q9Y5N1 5/20 0.45
▸ BCAT2 O15382 1/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ PRKCI P41743 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL16827426 0.82 BCAT2 (0.46) AOC3MAOAMAOBHRH3BCAT2
SCHEMBL22725954 0.82 AOC3 (0.55) AOC3MIFMAOAMAOBBCAT2
SCHEMBL29438665 0.82 BCAT2 (0.46) AOC3MAOAMAOBHRH3BCAT2
SCHEMBL22713726 0.82 CYP11B1 (0.53) AOC3MIFMAOAMAOBBCAT2
SCHEMBL22725923 0.81 AOC3 (0.62) AOC3LRRK2MAOAMAOBHRH3
SCHEMBL14158182 0.80 BCAT2 (0.53) AOC3MAOAMAOBBCAT2CYP11B1
SCHEMBL25304979 0.80 CYP11B2 (0.54) AOC3MAOAMAOBHRH3BCAT2
SCHEMBL29438664 0.80 CYP11B2 (0.54) AOC3MAOAMAOBHRH3BCAT2
SCHEMBL12955566 0.77 CYP11B1 (0.46) AOC3LRRK2MAOAMAOBBCAT2
SCHEMBL4301131 0.76 LMNA (0.47) AOC3MAOAMAOBBCAT2CYP11B1

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
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 — — US disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 — — US disclosed
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 — — 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 (2 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-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 AOC3 6/4885MIF 931/4885LRRK2 563/4885
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF VCAM1, VAPB, ICAM1 AOC3 6/4885MIF 931/4885LRRK2 563/4885

“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.

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