SCHEMBL5535517

SCHEMBL5535517

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nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC6A3 Q01959 5/20 0.40
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
CAPN1 P07384 1/20 0.38
FOLH1 Q04609 1/20 0.38
PKM P14618 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
OPRD1 P41143 1/20 0.37
REN P00797 1/20 0.35
CTSK P43235 2/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL14561302 1.00 GPR142 (0.40) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL2030716 0.86 DPP4 (0.39) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL9565308 0.83 KDM4E (0.44) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL5515796 0.83 GPR142 (0.39) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL11922954 0.81 CTSK (0.38) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL16578240 0.81 CTSK (0.38) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL5810527 0.81 OPRL1 (0.41) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL21216051 0.79 PPARG (0.40) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL13957696 0.79 FOLH1 (0.44) GPR142KDM4ESLC6A3MAPK1NPSR1
SCHEMBL6897376 0.79 GPR142 (0.40) GPR142KDM4ESLC6A3MAPK1NPSR1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 EP disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
EP-3842420-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners LLC (US) 2021-06-30 EP disclosed
EP-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 EP disclosed
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2017-11-30 US disclosed
US-9777024-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2017-10-03 US disclosed
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2017-09-14 US disclosed
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2016-05-19 US disclosed
US-20160083421-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2016-03-24 US disclosed
US-9221843-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2015-12-29 US disclosed
US-9205125-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-20140050737-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-02-20 US disclosed
US-20140051641-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-02-20 US disclosed
US-20140031297-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-01-30 US disclosed
US-20130130968-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-05-23 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-02-10 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 (10 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-20130130968-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP GPR142 3378/4885KDM4E 3290/4885SLC6A3 4529/4885
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GPR142 3212/4885KDM4E 1119/4885SLC6A3 909/4885
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GPR142 2218/4885KDM4E 1574/4885SLC6A3 2600/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 GPR142 45/4885KDM4E 3450/4885SLC6A3 1449/4885
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 GPR142 3568/4885KDM4E 3374/4885SLC6A3 4402/4885
US-20140050737-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP GPR142 3378/4885KDM4E 3290/4885SLC6A3 4529/4885
US-20140051641-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP GPR142 3378/4885KDM4E 3290/4885SLC6A3 4529/4885
US-20140031297-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP GPR142 3378/4885KDM4E 3290/4885SLC6A3 4529/4885
US-20160083421-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 GPR142 3568/4885KDM4E 3374/4885SLC6A3 4402/4885
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GPR142 3212/4885KDM4E 1119/4885SLC6A3 909/4885

“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.