SCHEMBL1972242

SCHEMBL1972242

CC(C)C1c2nc[nH]c2CCN1C(=O)OC1CCN(C)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.59
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH3 Q9Y5N1 2/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL1972804 1.00 AOC3 (0.59) AOC3CYP2D6HTTCHRM4CHRM5
SCHEMBL12312304 0.83 AOC3 (0.41) AOC3CYP2D6HTTCHRM4CHRM5
SCHEMBL2345151 0.82 AOC3 (0.71) AOC3
SCHEMBL2345148 0.82 AOC3 (0.71) AOC3
SCHEMBL18953100 0.82 AOC3 (0.71) AOC3
SCHEMBL3126584 0.82 AOC3 (0.71) AOC3
SCHEMBL1976869 0.78 AOC3 (0.64) AOC3ALDH1A1POLB
SCHEMBL18953107 0.77 AOC3 (0.62) AOC3ALDH1A1POLB
SCHEMBL12094922 0.77 AOC3 (0.65) AOC3ALDH1A1POLB
SCHEMBL1973686 0.77 AOC3 (0.65) AOC3ALDH1A1POLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118744-A1 NEW COMPOUNDS I PROXIMAGEN LIMITED (GB) 2018-05-03 US claimed
US-9890160-B2 Compounds I PROXIMAGEN LIMITED (GB) 2018-02-13 US claimed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 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
US-9890160-B2 Compounds I PROXIMAGEN LIMITED (GB) 2018-02-13 US disclosed
US-20170044157-A1 NEW COMPOUNDS I PROXIMAGEN, LLC 2017-02-16 US disclosed
US-9493457-B2 4,5,6,7-tetrahyroimidazo[4,5-c]pyridine compounds PROXIMAGEN LIMITED (GB) 2016-11-15 US disclosed
US-20150218161-A1 NEW COMPOUNDS I PROXIMAGEN, LLC 2015-08-06 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 (7 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 63/4885CYP2D6 132/4885HTT 1135/4885
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 AOC3 24/4885CYP2D6 2647/4885HTT 1171/4885
US-20110207746-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885CYP2D6 141/4885HTT 1533/4885
US-11040969-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885CYP2D6 132/4885HTT 1135/4885
US-20170044157-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885CYP2D6 141/4885HTT 1533/4885
US-20180118744-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885CYP2D6 141/4885HTT 1533/4885
US-20150218161-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885CYP2D6 141/4885HTT 1533/4885

“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.