SCHEMBL97126

SCHEMBL97126

CC(OCC[O])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
SCN1A P35498 3/20 0.40
SCN2A Q99250 3/20 0.40
SCN3A Q9NY46 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL14813926 0.88 KDM4E (0.41) HCAR2SCN1ASCN2ASCN3ALMNA
SCHEMBL6267445 0.83 HCAR2 (0.43) HCAR2SCN1ASCN2ASCN3ALMNA
SCHEMBL2701953 0.81 HTT (0.42) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL431888 0.81 SCN1A (0.41) HCAR2SCN1ASCN2ASCN3ALMNA
SCHEMBL9871371 0.79 TAAR1 (0.43) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL19368242 0.79 HPGD (0.41) HCAR2SCN1ASCN2ASCN3ALMNA
SCHEMBL17305906 0.79 SLC6A2 (0.46) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL97127 0.79 TRPA1 (0.44) HCAR2SCN1ASCN2ASCN3ALMNA
SCHEMBL29633537 0.79 TRPA1 (0.44) HCAR2SCN1ASCN2ASCN3ALMNA
SCHEMBL584471 0.79 ADRA2A (0.42) SCN1ASCN2ASCN3ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
EP-3524599-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2019-08-14 EP disclosed
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-12-06 US disclosed
EP-3199533-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2017-08-02 EP disclosed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
EP-2784074-A1 PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2014-10-01 EP disclosed
US-8846746-B2 Pyrazole compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-09-30 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-1000620-B1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBITORS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-12-07 EP disclosed
US-6166036-A Lp(a)-lowering agent and apolipoprotein (a) formation suppressing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1000620-A1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBTORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed
EP-0393607-B1 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMA CO LTD (JP) 1996-02-21 EP disclosed
US-5145865-A Fatty acid, cholesterol synthesis inhibitors; enzyme inhibitors; antilipemic agents OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1992-09-08 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 (6 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-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 HCAR2 4076/4885SCN1A 510/4885SCN2A 734/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 HCAR2 4076/4885SCN1A 510/4885SCN2A 734/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB HCAR2 3078/4885SCN1A 2083/4885SCN2A 2170/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HCAR2 2804/4885SCN1A 3959/4885SCN2A 4436/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 HCAR2 4076/4885SCN1A 510/4885SCN2A 734/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 HCAR2 1836/4885SCN1A 545/4885SCN2A 788/4885

“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.