SCHEMBL2339758

SCHEMBL2339758

CC(C)C1c2nc[nH]c2CCN1C(=O)OC[C@H]1CCCO1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.70
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL2339761 1.00 AOC3 (0.70) AOC3NPSR1LMNAPTGDR2POLB
SCHEMBL1972240 0.95 AOC3 (0.74) AOC3NPSR1PTGDR2
SCHEMBL22997032 0.85 AOC3 (0.51) AOC3NPSR1LMNAPTGDR2POLB
SCHEMBL12312291 0.85 AOC3 (0.51) AOC3NPSR1LMNAPTGDR2POLB
SCHEMBL2339188 0.82 AOC3 (0.66) AOC3
SCHEMBL12312305 0.79 AOC3 (0.53) AOC3PTGDR2
SCHEMBL1972052 0.77 AOC3 (0.61) AOC3SMN1; SMN2ACACB
SCHEMBL1971623 0.77 AOC3 (0.73) AOC3ALDH1A1SMN1; SMN2
SCHEMBL1969842 0.76 AOC3 (0.66) AOC3
SCHEMBL1971755 0.76 AOC3 (0.80) AOC3PTGDR2

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 26 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
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-20180118744-A1 NEW COMPOUNDS I PROXIMAGEN LIMITED (GB) 2018-05-03 US disclosed
EP-2334672-B1 4,5,6,7-Tetrahydroimidazo[4,5-c]pyridine compounds as inhibitors of SSAO PROXIMAGEN LTD (GB) 2013-11-20 EP disclosed
US-8569338-B2 Methods of using 4, 5, 6, 7-tetrahydroimidazo-[4,5-c]pyridine compounds PROXIMAGEN LTD. (GB) 2013-10-29 US disclosed
US-20120302583-A1 New Compounds I PROXIMAGEN LIMITED (GB) 2012-11-29 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

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 63/4885NPSR1 616/4885LMNA 2022/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 AOC3 24/4885NPSR1 4405/4885LMNA 1909/4885
US-20110207746-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885NPSR1 552/4885LMNA 2197/4885
US-20120302583-A1 New Compounds I SSB, NFKBIA, NOD1 AOC3 111/4885NPSR1 519/4885LMNA 2453/4885
US-11040969-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885NPSR1 616/4885LMNA 2022/4885
US-20140121219-A1 New Compounds I SSB, NFKBIA, ALOX15B AOC3 54/4885NPSR1 552/4885LMNA 2197/4885
US-20170044157-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885NPSR1 552/4885LMNA 2197/4885
US-20180118744-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885NPSR1 552/4885LMNA 2197/4885

“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.