SCHEMBL16787368

SCHEMBL16787368

CC/C(=C\F)COc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.58
AOC3 Q16853 6/20 0.58
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
AOC2 O75106 6/20 0.43
MAOA P21397 3/20 0.43
DAO P14920 2/20 0.43
TBXAS1 P24557 1/20 0.42

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
SCHEMBL18026502 0.89 AOC3 (0.49) MAOBAOC3ALDH1A1AOC2MAOA
SCHEMBL16767243 0.87 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
SCHEMBL18026493 0.87 ALDH1A1 (0.53) MAOBAOC3ALDH1A1SMN1; SMN2HPGD
SCHEMBL16767244 0.87 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
SCHEMBL16767516 0.87 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
Hydrochloric Acid SCHEMBL15527460 0.86 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
Hydrochloric Acid SCHEMBL15527462 0.86 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
Hydrochloric Acid SCHEMBL16766591 0.86 AOC3 (0.64) MAOBAOC3AOC2MAOADAO
SCHEMBL18026499 0.84 AOC3 (0.46) MAOBAOC3AOC2MAOADAO
SCHEMBL15527151 0.83 MAOB (0.52) MAOBAOC3ALDH1A1SMN1; SMN2HPGD

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
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-9815782-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-14 US disclosed
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-25 US disclosed
US-9302986-B2 Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-05 US disclosed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 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 (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-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof AOC3, HAO1, VAPA MAOB 212/4885AOC3 1/4885ALDH1A1 33/4885
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF AOC3, HAO1, VAPA MAOB 212/4885AOC3 1/4885ALDH1A1 33/4885
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF HAO1, VAPA, AOC3 MAOB 524/4885AOC3 3/4885ALDH1A1 23/4885

“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.