SCHEMBL2069326

SCHEMBL2069326

CC(=O)N1CCN(c2ccc(CCc3cccc(CC(=O)O)c3)nc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.69
RORC P51449 1/20 0.53
WNT3A P56704 1/20 0.49
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL1432837 0.89 AOC3 (0.72) AOC3RORCWNT3AGFER
SCHEMBL1432355 0.88 AOC3 (0.71) AOC3RORCWNT3AGFER
SCHEMBL1433339 0.88 AOC3 (0.74) AOC3RORCWNT3A
SCHEMBL1432342 0.88 AOC3 (0.81) AOC3
Hydrochloric Acid SCHEMBL2067776 0.87 AOC3 (0.80) AOC3
SCHEMBL27829440 0.86 AOC3 (0.68) AOC3RORCWNT3AGFER
SCHEMBL27809000 0.85 AOC3 (0.82) AOC3RORCGFER
SCHEMBL27809014 0.84 AOC3 (0.67) AOC3RORC
SCHEMBL1433536 0.83 AOC3 (0.66) AOC3RORCWNT3AMAPT
SCHEMBL2068693 0.83 AOC3 (0.67) AOC3RORCWNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 US disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 US disclosed
CN-102046601-B Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R TECH UENO LTD 2014-08-27 CN disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 US disclosed
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-03-10 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 (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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 AOC3 438/4885RORC 2493/4885WNT3A 2931/4885
US-20110059957-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 AOC3 438/4885RORC 2493/4885WNT3A 2931/4885

“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.