Sugi Predict

Sugi Predict / Compounds / SCHEMBL1969888

SCHEMBL1969888

SCHEMBL1969888

CC(C)C1c2nc[nH]c2CCN1C(=O)OCc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 1.00
▸ OPRK1 P41145 1/20 0.41
▸ CYP17A1 P05093 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ RORC P51449 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36

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 0.89 AOC3 (0.80) AOC3RORC
SCHEMBL1968586 0.88 AOC3 (0.79) AOC3CYP17A1CYP19A1RORCCYP2D6
SCHEMBL1970874 0.86 AOC3 (0.82) AOC3KMT2A
SCHEMBL12312244 0.85 AOC3 (0.74) AOC3OPRK1CYP17A1CYP19A1CYP3A4
SCHEMBL1972450 0.85 AOC3 (0.73) AOC3RORCCYP3A4CYP2D6CYP2C9
SCHEMBL1970822 0.84 AOC3 (0.73) AOC3
SCHEMBL1976160 0.83 AOC3 (0.72) AOC3RORCGRIN2BLMNA
SCHEMBL1969243 0.83 AOC3 (0.71) AOC3KDM4ECHRM1ADAMTS4LMNA
SCHEMBL1971938 0.79 AOC3 (1.00) AOC3CHRM1LMNAKMT2A
SCHEMBL1972030 0.79 AOC3 (0.66) AOC3RORCLMNAACACB

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 63/4885OPRK1 546/4885CYP17A1 195/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 AOC3 24/4885OPRK1 2917/4885CYP17A1 2794/4885
US-20110207746-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885OPRK1 510/4885CYP17A1 191/4885
US-20120302583-A1 New Compounds I SSB, NFKBIA, NOD1 AOC3 111/4885OPRK1 605/4885CYP17A1 374/4885
US-11040969-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885OPRK1 546/4885CYP17A1 195/4885
US-20140121219-A1 New Compounds I SSB, NFKBIA, ALOX15B AOC3 54/4885OPRK1 510/4885CYP17A1 191/4885
US-20170044157-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885OPRK1 510/4885CYP17A1 191/4885
US-20180118744-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885OPRK1 510/4885CYP17A1 191/4885

“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.