SCHEMBL1972052

SCHEMBL1972052

Cc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.61
ACACB O00763 2/20 0.35
BUB1 O43683 1/20 0.33
EGFR P00533 1/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
NMT1 P30419 1/20 0.31
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
ROCK2 O75116 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL12312296 0.85 AOC3 (0.44) AOC3ACACBBUB1CCNE1CDK2
SCHEMBL1972450 0.82 AOC3 (0.73) AOC3ACACBRORC
SCHEMBL1969243 0.82 AOC3 (0.71) AOC3SMN1; SMN2
SCHEMBL1971755 0.80 AOC3 (0.80) AOC3RORC
SCHEMBL1972030 0.80 AOC3 (0.66) AOC3ACACBRORC
SCHEMBL1968586 0.79 AOC3 (0.79) AOC3RORC
SCHEMBL1972240 0.79 AOC3 (0.74) AOC3
SCHEMBL1976160 0.78 AOC3 (0.72) AOC3RORC
SCHEMBL1971904 0.78 AOC3 (0.68) AOC3
SCHEMBL1970708 0.78 AOC3 (0.65) AOC3ACACB

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 29 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
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
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 63/4885ACACB 2232/4885BUB1 2295/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 AOC3 24/4885ACACB 957/4885BUB1 4376/4885
US-20110207746-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885ACACB 1959/4885BUB1 2512/4885
US-20120302583-A1 New Compounds I SSB, NFKBIA, NOD1 AOC3 111/4885ACACB 2877/4885BUB1 2548/4885
US-11040969-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885ACACB 2232/4885BUB1 2295/4885
US-20140121219-A1 New Compounds I SSB, NFKBIA, ALOX15B AOC3 54/4885ACACB 1959/4885BUB1 2512/4885
US-20170044157-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885ACACB 1959/4885BUB1 2512/4885
US-20180118744-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885ACACB 1959/4885BUB1 2512/4885

“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.