SCHEMBL21780086

SCHEMBL21780086

NC/C(=C\F)COc1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.60
MAOA P21397 5/20 0.54
MAOB P27338 1/20 0.53

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
SCHEMBL21780084 1.00 AOC3 (0.60) AOC3MAOAMAOB
SCHEMBL28901230 1.00 AOC3 (0.60) AOC3MAOAMAOB
Hydrochloric Acid SCHEMBL22713746 0.99 AOC3 (0.59) AOC3MAOAMAOB
Hydrochloric Acid SCHEMBL22713704 0.99 AOC3 (0.59) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL21768170 0.93 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL21768109 0.93 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL30089451 0.93 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL21768168 0.93 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL30089422 0.93 AOC3 (0.53) AOC3MAOAMAOB
Trifluoroacetic Acid SCHEMBL30089440 0.93 AOC3 (0.53) 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 11 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
CN-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN 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-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
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 US disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 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 (3 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 AOC3 6/4885MAOA 25/4885MAOB 60/4885
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.