Sugi Predict

Sugi Predict / Compounds / SCHEMBL1969243

SCHEMBL1969243

SCHEMBL1969243

CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.71
▸ PGR P06401 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 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
SCHEMBL1971755 0.87 AOC3 (0.80) AOC3PTGDR2
SCHEMBL1972450 0.86 AOC3 (0.73) AOC3NPC1RAB9APTGDR2
SCHEMBL1972030 0.85 AOC3 (0.66) AOC3LMNAPTGDR2
SCHEMBL12312240 0.84 AOC3 (0.51) AOC3PGRADORA3PTGS1SLC6A2
SCHEMBL1968586 0.84 AOC3 (0.79) AOC3PTGDR2
SCHEMBL1971938 0.83 AOC3 (1.00) AOC3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1969888 0.83 AOC3 (1.00) AOC3LMNAKDM4ECHRM1ADAMTS4
SCHEMBL1972052 0.82 AOC3 (0.61) AOC3SMN1; SMN2
SCHEMBL1976160 0.81 AOC3 (0.72) AOC3LMNAPTGDR2
SCHEMBL1970708 0.80 AOC3 (0.65) AOC3PTGDR2TSHRCHRM1

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 63/4885PGR 4538/4885ADORA3 972/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 AOC3 24/4885PGR 4700/4885ADORA3 4026/4885
US-20110207746-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885PGR 4363/4885ADORA3 1076/4885
US-20120302583-A1 New Compounds I SSB, NFKBIA, NOD1 AOC3 111/4885PGR 4820/4885ADORA3 1348/4885
US-11040969-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885PGR 4538/4885ADORA3 972/4885
US-20140121219-A1 New Compounds I SSB, NFKBIA, ALOX15B AOC3 54/4885PGR 4363/4885ADORA3 1076/4885
US-20170044157-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885PGR 4363/4885ADORA3 1076/4885
US-20180118744-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885PGR 4363/4885ADORA3 1076/4885

“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.