SCHEMBL4508932

SCHEMBL4508932

Cc1cccc(C)c1N(C(=O)Cc1ccccc1)C(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.38
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALOX5 P09917 1/20 0.38
PPID Q08752 1/20 0.38
KMT2A Q03164 2/20 0.37
OPRM1 P35372 1/20 0.37
CRHBP P24387 1/20 0.36
NPBWR1 P48145 1/20 0.36
CRHR2 Q13324 1/20 0.36
MCHR1 Q99705 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
REN P00797 1/20 0.36
LMNA P02545 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
SCHEMBL11382483 0.86 SMN1; SMN2 (0.42) TRPM8SMN1; SMN2HPGDGAACES1
SCHEMBL11408368 0.82 ALDH1A1 (0.33) TRPM8SMN1; SMN2HPGDPPIDKMT2A
SCHEMBL3689800 0.82 ALDH1A1 (0.45) SMN1; SMN2HPGDKMT2AMEN1HTT
SCHEMBL11112769 0.81 MEN1 (0.35) TRPM8HPGDGAAPPIDKMT2A
SCHEMBL2831671 0.79 KMT2A (0.36) SMN1; SMN2GAAPPIDKMT2AOPRM1
SCHEMBL13472597 0.75 TRPM8 (0.56) TRPM8SMN1; SMN2HPGDGAACES1
SCHEMBL6076551 0.74 OPRM1 (0.45) SMN1; SMN2CES1CES2KMT2AOPRM1
SCHEMBL11392628 0.73 ALDH1A1 (0.31) OPRM1TP53
SCHEMBL6206675 0.72 TRPM8 (0.52) TRPM8SMN1; SMN2HPGDGAACES1
SCHEMBL6949925 0.72 TRPM8 (0.52) TRPM8SMN1; SMN2HPGDGAACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 EP claimed
EP-0979034-B1 COMPOSITION FOR CONTROLLING HARMFUL BIO-ORGANISMS AND METHOD FOR CONTROLLING HARMFUL BIO-ORGANISMS USING THE SAME ISHIHARA SANGYO KAISHA (JP) 2003-02-26 EP claimed
EP-1155616-B1 Process for the preparation of (N-phenylacetyl-N-2,6-xylil)methyl alaninate ISAGRO SPA (IT) 2003-01-29 EP claimed
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 EP disclosed
EP-1926370-B1 METHOD FOR PROTECTING PHYTOPATHOGENIC AGENTS BY KIRALAXYL, THE USE THEREOF AND USED SUBSTANCES ISAGRO SPA (IT) 2012-12-12 EP disclosed
EP-2514311-A1 Method for protecting against phytopathogens with kiralaxyl, usage and means for same ISAGRO S.p.A. (IT) 2012-10-24 EP disclosed
EP-2514311-A1 Method for protecting against phytopathogens with kiralaxyl, usage and means for same ISAGRO S.p.A. (IT) 2012-10-24 EP disclosed
EP-2514310-A1 Method for protecting against phytopathogens with kiralaxyl, usage and means for same ISAGRO S.p.A. (IT) 2012-10-24 EP disclosed
EP-2514310-A1 Method for protecting against phytopathogens with kiralaxyl, usage and means for same ISAGRO S.p.A. (IT) 2012-10-24 EP disclosed
US-7632783-B2 fungicides, pesticides for protecting rice crop, tomatoes, cucumbers and green beans; 3-(5-fluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoline MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-15 US disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
WO-2007031283-A3 METHOD FOR PROTECTING PHYTOPATHOGENIC AGENTS BY KIRALAXYL, THE USE THEREOF AND USED SUBSTANCES BASF AG (DE) 2007-07-26 WO disclosed
WO-2007031283-A2 METHOD FOR PROTECTING PHYTOPATHOGENIC AGENTS BY KIRALAXYL, THE USE THEREOF AND USED SUBSTANCES BASF SE (DE) 2007-03-22 WO disclosed
EP-1736471-A1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES Sankyo Agro Company, Limited (JP) 2006-12-27 EP disclosed
EP-0669804-A1 SYNERGISTIC MICROBICIDAL COMPOSITIONS Novartis AG (CH) 1995-09-06 EP disclosed
WO-1994010845-A2 SYNERGISTIC MICROBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1994-05-26 WO disclosed
US-5086048-A 1,2,4-triazole of phenoxyether-ketones and phenoxyether-alkanols and copper complexes BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-4990528-A Mixture of fungicidal agents BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4514402-A 1,2,4-TRIAZOLE AND QUINOXALINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-04-30 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 (2 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-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound QTRT1, RABL3, RECQL TRPM8 4447/4885SMN1; SMN2 3685/4885HPGD 3566/4885
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines ATIC, ARSA, AOC1 TRPM8 4208/4885SMN1; SMN2 2245/4885HPGD 4408/4885

“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.