SCHEMBL12312293

SCHEMBL12312293

CC(C)C1c2[nH]cnc2CCN1C(=O)OCc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.47
HTT P42858 1/20 0.38
PTGDR2 Q9Y5Y4 9/20 0.34
CYP3A4 P08684 4/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1970708 0.84 AOC3 (0.65) AOC3HTTPTGDR2CYP3A4CHRM2
SCHEMBL12312248 0.82 AOC3 (0.57) AOC3PTGDR2CYP2D6
SCHEMBL12312230 0.81 AOC3 (0.58) AOC3PTGDR2
SCHEMBL12312253 0.80 AOC3 (0.53) AOC3PTGDR2CYP3A4CYP2D6
SCHEMBL12312240 0.80 AOC3 (0.51) AOC3PTGDR2
SCHEMBL12312236 0.79 AOC3 (0.52) AOC3PTGDR2
SCHEMBL12312244 0.79 AOC3 (0.74) AOC3PTGDR2CYP3A4CHRM2CHRM1
SCHEMBL12312222 0.79 AOC3 (0.47) AOC3HTTPTGDR2TSHR
SCHEMBL12312296 0.78 AOC3 (0.44) AOC3PTGDR2
SCHEMBL12312290 0.78 AOC3 (0.51) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 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-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-9890160-B2 Compounds I PROXIMAGEN LIMITED (GB) 2018-02-13 US disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 WO disclosed
US-20170044157-A1 NEW COMPOUNDS I PROXIMAGEN, LLC 2017-02-16 US disclosed
US-9035066-B2 Method of using 4,5,6,7-tetrahydroimidazo[4,5-C]pyridine compounds PROXIMAGEN LIMITED (GB) 2015-05-19 US disclosed
WO-2014199171-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS PROXIMAGEN LIMITED (GB) 2014-12-18 WO 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-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-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-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
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 (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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 AOC3 55/4885HTT 2186/4885PTGDR2 2738/4885
US-10399973-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885HTT 1135/4885PTGDR2 1209/4885
US-20110207746-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885HTT 1533/4885PTGDR2 823/4885
US-20120302583-A1 New Compounds I SSB, NFKBIA, NOD1 AOC3 111/4885HTT 1423/4885PTGDR2 819/4885
US-11040969-B2 Compounds I SSB, SQLE, ALOX15B AOC3 63/4885HTT 1135/4885PTGDR2 1209/4885
US-20170044157-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885HTT 1533/4885PTGDR2 823/4885
US-20180118744-A1 NEW COMPOUNDS I SSB, NFKBIA, ALOX15B AOC3 54/4885HTT 1533/4885PTGDR2 823/4885

“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.