SCHEMBL16767516

SCHEMBL16767516

CN(C)C(=O)c1ccc(OC/C(=C/F)CN)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.64
MAOB P27338 8/20 0.64
AOC2 O75106 6/20 0.60
MAOA P21397 3/20 0.60
DAO P14920 2/20 0.60

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
SCHEMBL16767243 1.00 AOC3 (0.64) AOC3MAOBAOC2MAOADAO
SCHEMBL16767244 1.00 AOC3 (0.64) AOC3MAOBAOC2MAOADAO
Hydrochloric Acid SCHEMBL16766591 0.99 AOC3 (0.64) AOC3MAOBAOC2MAOADAO
Hydrochloric Acid SCHEMBL15527460 0.99 AOC3 (0.64) AOC3MAOBAOC2MAOADAO
Hydrochloric Acid SCHEMBL15527462 0.99 AOC3 (0.64) AOC3MAOBAOC2MAOADAO
SCHEMBL16767310 0.88 AOC3 (0.59) AOC3MAOBAOC2MAOADAO
SCHEMBL16767311 0.88 AOC3 (0.59) AOC3MAOBAOC2MAOADAO
SCHEMBL16787368 0.87 MAOB (0.58) AOC3MAOBAOC2MAOADAO
SCHEMBL16787366 0.86 AOC3 (0.60) AOC3MAOBAOC2MAOADAO
SCHEMBL15527585 0.86 AOC3 (0.60) AOC3MAOBAOC2MAOADAO

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210212968-A1 COMBINATIONS COMPRISING AN SSAO/VAP-1 INHIBITOR AND A SGLT2 INHIBITOR, USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-07-15 US claimed
EP-3528800-A1 COMBINATIONS COMPRISING AN SSAO/VAP-1 INHIBITOR AND A SGLT2 INHIBITOR, USES THEREOF Boehringer Ingelheim International GmbH (DE) 2019-08-28 EP claimed
US-20190071396-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-03-07 US claimed
EP-3438087-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2019-02-06 EP claimed
US-10160723-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-25 US claimed
WO-2018073154-A1 COMBINATIONS COMPRISING AN SSAO/VAP-1 INHIBITOR AND A SGLT2 INHIBITOR, USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-26 WO claimed
US-20180104198-A1 Pharmaceutical Composition, Methods for Treating and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-19 US claimed
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US claimed
EP-2844637-B1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 EP claimed
US-9302986-B2 Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-05 US claimed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 US claimed
US-20210212968-A1 COMBINATIONS COMPRISING AN SSAO/VAP-1 INHIBITOR AND A SGLT2 INHIBITOR, USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-07-15 US disclosed
US-20210212968-A1 COMBINATIONS COMPRISING AN SSAO/VAP-1 INHIBITOR AND A SGLT2 INHIBITOR, USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-07-15 US disclosed
US-20190071396-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-03-07 US disclosed
US-20190071396-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-03-07 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-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
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 (7 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-20190071396-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF AOC3, HAO1, VAPA AOC3 1/4885MAOB 212/4885AOC2 4/4885
US-20180104198-A1 Pharmaceutical Composition, Methods for Treating and Uses Thereof SLC5A1, SLC5A2, SLC2A1 AOC3 268/4885MAOB 1282/4885AOC2 122/4885
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof AOC3, HAO1, VAPA AOC3 1/4885MAOB 212/4885AOC2 4/4885
US-10160723-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof AOC3, HAO1, VAPA AOC3 1/4885MAOB 212/4885AOC2 4/4885
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF AOC3, HAO1, VAPA AOC3 1/4885MAOB 212/4885AOC2 4/4885
US-20210212968-A1 COMBINATIONS COMPRISING AN SSAO/VAP-1 INHIBITOR AND A SGLT2 INHIBITOR, USES THEREOF SLC5A1, SLC5A2, SLC2A1 AOC3 510/4885MAOB 1723/4885AOC2 284/4885
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF HAO1, VAPA, AOC3 AOC3 3/4885MAOB 524/4885AOC2 7/4885

“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.