SCHEMBL22725923

SCHEMBL22725923

COc1ccc2c(c1)CCN(c1ccc(C#N)cc1)C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 7/20 0.62
▸ LRRK2 Q5S007 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SRD5A1 P18405 1/20 0.42
▸ TUBB4A P04350 1/20 0.41

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
SCHEMBL16848202 0.85 AOC3 (0.61) AOC3CA1CA2CA9CA14
SCHEMBL29438613 0.84 PDE4A (0.55) AOC3NPC1PKMRAB9A
SCHEMBL29438611 0.84 PDE4A (0.55) AOC3NPC1PKMRAB9A
SCHEMBL16827362 0.84 PDE4A (0.55) AOC3NPC1PKMRAB9A
SCHEMBL12870758 0.83 AOC3 (0.58) AOC3NPC1PKMRAB9AMAPT
SCHEMBL16827452 0.81 AOC3 (0.47) AOC3NPC1PKMRAB9ATP53
SCHEMBL16827495 0.81 AOC3 (0.50) AOC3NPC1PKMRAB9AMAPT
SCHEMBL16848253 0.81 AOC3 (0.47) AOC3NPC1PKMRAB9ASRD5A1
SCHEMBL22725915 0.81 AOC3 (0.57) AOC3LRRK2HRH3MAOAMAOB
SCHEMBL25308280 0.81 CYP19A1 (0.52) AOC3NPC1PKMRAB9AMAPT

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 4 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
CN-109988109-B Amine compound for inhibiting SSAO/VAP-1 and application thereof 广东东阳光药业有限公司 2020-12-29 — — CN 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 6/4885LRRK2 563/4885CA1 4697/4885
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF VCAM1, VAPB, ICAM1 AOC3 6/4885LRRK2 563/4885CA1 4697/4885

“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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