SCHEMBL21780117

SCHEMBL21780117

NC/C(=C\F)COc1ccc2c(c1)CNC2=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.60
MAOA P21397 5/20 0.58
MAOB P27338 1/20 0.57

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
SCHEMBL21780116 1.00 AOC3 (0.60) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL28901235 0.92 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL21768128 0.92 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL30089452 0.92 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL28901209 0.92 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL30089378 0.92 AOC3 (0.53) AOC3MAOAMAOB
SCHEMBL22713742 0.89 AOC3 (0.62) AOC3MAOAMAOB
SCHEMBL28901196 0.89 AOC3 (0.62) AOC3MAOAMAOB
SCHEMBL21780045 0.89 AOC3 (0.62) AOC3MAOAMAOB
Hydrochloric Acid SCHEMBL22713837 0.88 AOC3 (0.61) AOC3MAOAMAOB

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 7 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 claimed
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 claimed
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 US claimed
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
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 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 (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 6/4885MAOA 13/4885MAOB 16/4885
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF VCAM1, VAPB, ICAM1 AOC3 6/4885MAOA 13/4885MAOB 16/4885

“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.