SCHEMBL2686754

SCHEMBL2686754

CS(=O)(=O)CCN1CCC(N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
SPHK1 Q9NYA1 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
OPRM1 P35372 1/20 0.32
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR4 Q13639 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 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
Hydrochloric Acid SCHEMBL4874555 0.98 GNAI3 (0.50) GNAI3GNAO1GNAI1SPHK1ALDH1A1
SCHEMBL17284623 0.89 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1POLB
SCHEMBL2688042 0.89 HRH2 (0.40) GNAI3GNAO1GNAI1SPHK1ALDH1A1
Hydrochloric Acid SCHEMBL2300659 0.87 GNAO1 (0.56) GNAI3GNAO1GNAI1SPHK1HRH2
SCHEMBL16106672 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1GAAPOLBHTT
SCHEMBL663339 0.82 CARM1 (0.48) POLBHTTSIGMAR1OPRM1HRH3
SCHEMBL7351993 0.80
SCHEMBL663338 0.80 ALDH1A1 (0.34) GNAI3GNAO1GNAI1ALDH1A1MAPK1
SCHEMBL17234858 0.80 ALDH1A1 (0.34) ALDH1A1MAPK1GAADRD2SIGMAR1
SCHEMBL12991750 0.80 KCNA3 (0.39) SPHK1ALDH1A1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP claimed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US claimed
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US claimed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US claimed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US claimed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US claimed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US claimed
US-20250319063-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. 2025-10-16 US disclosed
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 EP disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 US disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 WO disclosed
CN-103717605-B Spiral shell-hydroxyindole MDM2 antagonist THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-05-18 CN disclosed
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
CN-101243071-A 2, 4-dianilinopyrimidine derivatives, their preparation, their use as medicaments, pharmaceutical compositions and in particular as IKK inhibitors SANOFI AVENTIS (FR) 2008-08-13 CN disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 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 (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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 GNAI3 598/4885GNAO1 1285/4885GNAI1 531/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 GNAI3 598/4885GNAO1 1285/4885GNAI1 531/4885
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 GNAI3 595/4885GNAO1 317/4885GNAI1 423/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 GNAI3 598/4885GNAO1 1285/4885GNAI1 531/4885
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GNAI3 868/4885GNAO1 2462/4885GNAI1 1124/4885
US-20250319063-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION TP53, TP53BP1, KRAS GNAI3 940/4885GNAO1 2364/4885GNAI1 1050/4885

“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.