SCHEMBL3758230

SCHEMBL3758230

NCC=C(F)COc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.61
AOC3 Q16853 15/20 0.61
FKBP1A P62942 1/20 0.50
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL3758228 1.00 MAOB (0.61) MAOBAOC3FKBP1ANPC1PKM
SCHEMBL3758225 1.00 MAOB (0.61) MAOBAOC3FKBP1ANPC1PKM
Hydrochloric Acid SCHEMBL2947233 0.99 MAOB (0.59) MAOBAOC3FKBP1ANPC1PKM
Hydrochloric Acid SCHEMBL3749853 0.99 MAOB (0.59) MAOBAOC3FKBP1ANPC1PKM
Hydrochloric Acid SCHEMBL2947230 0.99 MAOB (0.59) MAOBAOC3FKBP1ANPC1PKM
SCHEMBL2947768 0.76 AOC3 (0.47) MAOBAOC3FKBP1ANPC1RAB9A
SCHEMBL2947775 0.76 AOC3 (0.47) MAOBAOC3FKBP1ANPC1RAB9A
SCHEMBL2947773 0.76 AOC3 (0.47) MAOBAOC3FKBP1ANPC1RAB9A
SCHEMBL3756755 0.76 AOC3 (1.00) MAOBAOC3
SCHEMBL3756753 0.76 AOC3 (1.00) MAOBAOC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP claimed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US claimed
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 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 (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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB MAOB 295/4885AOC3 30/4885FKBP1A 3006/4885

“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.