SCHEMBL1968586

SCHEMBL1968586

CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccncc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.79
RORC P51449 1/20 0.36
GRIN2B Q13224 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PARP1 P09874 1/20 0.35
RECQL P46063 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL1971755 0.91 AOC3 (0.80) AOC3RORCPARP1RECQLPTGDR2
SCHEMBL1976160 0.89 AOC3 (0.72) AOC3RORCGRIN2BPTGDR2
SCHEMBL1969888 0.88 AOC3 (1.00) AOC3RORCGRIN2BCYP2D6CYP2C9
SCHEMBL1969243 0.84 AOC3 (0.71) AOC3PTGDR2
SCHEMBL1972450 0.84 AOC3 (0.73) AOC3RORCGRIN2BCYP2D6CYP2C9
SCHEMBL12312248 0.84 AOC3 (0.57) AOC3GRIN2BCYP2D6CYP2C9PARP1
SCHEMBL1970822 0.84 AOC3 (0.73) AOC3PTGDR2
SCHEMBL1970708 0.82 AOC3 (0.65) AOC3CYP2D6PTGDR2
SCHEMBL1972030 0.81 AOC3 (0.66) AOC3RORCPTGDR2
SCHEMBL1971938 0.80 AOC3 (1.00) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399973-B2 Compounds I Benevolentai Cambridge Limited (GB) 2019-09-03 US claimed
US-20180118744-A1 NEW COMPOUNDS I PROXIMAGEN LIMITED (GB) 2018-05-03 US claimed
US-20170044157-A1 NEW COMPOUNDS I PROXIMAGEN, LLC 2017-02-16 US claimed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 US claimed
US-9035066-B2 Method of using 4,5,6,7-tetrahydroimidazo[4,5-C]pyridine compounds PROXIMAGEN LIMITED (GB) 2015-05-19 US claimed
US-20140121219-A1 New Compounds I PROXIMAGEN LIMITED (GB) 2014-05-01 US claimed
EP-2334672-B1 4,5,6,7-Tetrahydroimidazo[4,5-c]pyridine compounds as inhibitors of SSAO PROXIMAGEN LTD (GB) 2013-11-20 EP claimed
US-8569338-B2 Methods of using 4, 5, 6, 7-tetrahydroimidazo-[4,5-c]pyridine compounds PROXIMAGEN LTD. (GB) 2013-10-29 US claimed
US-20120302583-A1 New Compounds I PROXIMAGEN LIMITED (GB) 2012-11-29 US claimed
US-8263616-B2 4,5,6,7-tetrahydroimidazo[4,5-c]pyridine compounds PROXIMAGEN LTD (GB) 2012-09-11 US claimed
US-20110207746-A1 NEW COMPOUNDS I PROXIMAGEN LIMITED (GB) 2011-08-25 US claimed
EP-2334672-A1 NEW COMPOUNDS I Proximagen Limited (GB) 2011-06-22 EP claimed
WO-2010031789-A1 NEW COMPOUNDS I BIOVITRUM AB (PUBL) (SE) 2010-03-25 WO claimed
US-11040969-B2 Compounds I Benevolentai Cambridge Limited (GB) 2021-06-22 US disclosed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 EP disclosed
US-10399973-B2 Compounds I Benevolentai Cambridge Limited (GB) 2019-09-03 US disclosed
US-8263616-B2 4,5,6,7-tetrahydroimidazo[4,5-c]pyridine compounds PROXIMAGEN LTD (GB) 2012-09-11 US disclosed
US-20110207746-A1 NEW COMPOUNDS I PROXIMAGEN LIMITED (GB) 2011-08-25 US disclosed
EP-2334672-A1 NEW COMPOUNDS I Proximagen Limited (GB) 2011-06-22 EP disclosed
WO-2010031789-A1 NEW COMPOUNDS I BIOVITRUM AB (PUBL) (SE) 2010-03-25 WO 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 (8 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-10399973-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885RORC 221/4885GRIN2B 4091/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 AOC3 24/4885RORC 4853/4885GRIN2B 3522/4885
US-20110207746-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885RORC 202/4885GRIN2B 3827/4885
US-20120302583-A1 New Compounds I SSB, NFKBIA, NOD1 AOC3 111/4885RORC 184/4885GRIN2B 2976/4885
US-11040969-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885RORC 221/4885GRIN2B 4091/4885
US-20140121219-A1 New Compounds I SSB, NFKBIA, ALOX15B AOC3 54/4885RORC 202/4885GRIN2B 3827/4885
US-20170044157-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885RORC 202/4885GRIN2B 3827/4885
US-20180118744-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885RORC 202/4885GRIN2B 3827/4885

“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.