SCHEMBL5583082

SCHEMBL5583082

CCNCCNCCC(N)CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.33
KDM1A O60341 2/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
ALOX15 P16050 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4809727 0.85 CA12 (0.37) CYP2C19MEN1KMT2ACYP1A2TSHR
SCHEMBL16552936 0.81 CA12 (0.55) CYP2C19MEN1KMT2ACYP1A2TSHR
SCHEMBL11775833 0.79 CYP2C19 (0.36) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL16431024 0.78 CA12 (0.39) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL7971206 0.78 CA12 (0.53) CYP2C19MEN1KMT2ACYP1A2TSHR
SCHEMBL10540660 0.78
SCHEMBL11826637 0.77 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL1459003 0.77 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL28667034 0.77 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL15386571 0.76 TSHR (0.42) CYP2C19MEN1GLAKMT2ACYP1A2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10844269-B2 Sealing fluid for setting a packer TOTAL E&P DANMARK A/S (DK) 2020-11-24 US disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US disclosed
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 US disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 US disclosed
US-20180237682-A1 SEALING FLUID FOR SETTING A PACKER TOTAL E&P DANMARK A/S (DK) 2018-08-23 US disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP disclosed
US-9920234-B2 Sealing fluid for setting a packer MAERSK OLIE OG GAS A/S (DK) 2018-03-20 US disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 US disclosed
EP-2805009-B1 SEALING FLUID FOR SETTING A PACKER MAERSK OLIE & GAS (DK) 2017-03-01 EP disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
EP-1852479-B1 METHOD FOR PROTECTING DYNAMICALLY LOADED SURFACES AND COATING THEREFOR M & S METALLSCHUTZ GMBH (DE) 2016-04-13 EP disclosed
US-20150021028-A1 SEALING FLUID FOR SETTING A PACKER MAERSK OLIE OG GAS A/S (DK) 2015-01-22 US disclosed
EP-2805009-A1 SEALING FLUID FOR SETTING A PACKER MAERSK OLIE OG GAS A/S (DK) 2014-11-26 EP disclosed
WO-2013107789-A1 SEALING FLUID FOR SETTING A PACKER MÆRSK OLIE OG GAS A/S (DK) 2013-07-25 WO disclosed
EP-1852479-A1 Method for protecting dynamically loaded surfaces and coating therefor M + S Metallschutz GmbH (DE) 2007-11-07 EP 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-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 CYP2C19 1076/4885MEN1 3045/4885GLA 2207/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 CYP2C19 4193/4885MEN1 1052/4885GLA 3806/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CYP2C19 4389/4885MEN1 1247/4885GLA 3913/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CYP2C19 4389/4885MEN1 1247/4885GLA 3913/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D CYP2C19 140/4885MEN1 404/4885GLA 756/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CYP2C19 4389/4885MEN1 1247/4885GLA 3913/4885

“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.