SCHEMBL3115776

SCHEMBL3115776

Cc1cccc2c1NCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
ADRA2A P08913 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
MAP3K14 Q99558 1/20 0.43
ADRA2B P18089 1/20 0.43
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
HTR2C P28335 1/20 0.37
KEAP1 Q14145 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 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
SCHEMBL3001705 0.89 MAP3K14 (0.41) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL8593460 0.80 MAP3K14 (0.38) ALDH1A1MAP3K14ITGB2ICAM1ITGAL
SCHEMBL23532996 0.78 KDM4E (0.38) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL30641376 0.77 ADRA2A (0.40) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL20756201 0.77 ADRA2A (0.40) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL15202099 0.77 FABP6 (0.40) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL5248739 0.77 ITGB2 (0.38) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL16404623 0.77 MAPT (0.43) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL30343091 0.77 ITGB2 (0.38) ALDH1A1GAAHSD17B10MAPTADRA2A
SCHEMBL979462 0.77 ITGB2 (0.38) ALDH1A1GAAHSD17B10MAPTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120091815-A T-type voltage-gated calcium channel enhancer 广泛研究所股份有限公司 2025-06-03 CN disclosed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 US disclosed
US-20230028644-A1 Low Greenhouse Gas Fuel Compositions BP OIL INTERNATIONAL LIMITED (GB) 2023-01-26 US disclosed
US-11384057-B2 Methods for preparing fuel additives BP OIL INTERNATIONAL LIMITED (GB) 2022-07-12 US disclosed
EP-3414305-B1 FUEL COMPOSITIONS BP OIL INT (GB) 2022-06-15 EP disclosed
US-11359151-B2 Methods for preparing fuel additives BP OIL INTERNATIONAL LIMITED (GB) 2022-06-14 US disclosed
US-11339343-B2 Methods for blending fuels BP OIL INTERNATIONAL LIMITED (GB) 2022-05-24 US disclosed
US-11332682-B2 Methods for reducing oxidation BP OIL INTERNATIONAL LIMITED (GB) 2022-05-17 US disclosed
EP-3414303-B1 USES OF ADDITIVES FOR DEMULSIFYING BP OIL INT (GB) 2022-01-26 EP disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
EP-2172453-A1 COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-07 EP disclosed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090318436-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-12-24 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (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-11384057-B2 Methods for preparing fuel additives POLB, IDH2, TOP2B ALDH1A1 264/4885GAA 1452/4885HSD17B10 676/4885
US-20090318436-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET ALDH1A1 156/4885GAA 79/4885HSD17B10 876/4885
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 ALDH1A1 2158/4885GAA 2336/4885HSD17B10 3848/4885
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof HBZ, ZFX, HBG1 ALDH1A1 715/4885GAA 1087/4885HSD17B10 1799/4885
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 ALDH1A1 1306/4885GAA 1938/4885HSD17B10 313/4885
US-11359151-B2 Methods for preparing fuel additives GSDMD, SCD, FADS1 ALDH1A1 1572/4885GAA 1486/4885HSD17B10 159/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 ALDH1A1 605/4885GAA 3626/4885HSD17B10 633/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 ALDH1A1 1553/4885GAA 3500/4885HSD17B10 516/4885

“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.