SCHEMBL1386949

SCHEMBL1386949

CC1CCCN(CCn2cc(-c3ccccc3)c(OCc3ccccc3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HRH3 Q9Y5N1 7/20 0.52
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KCNH2 Q12809 1/20 0.41
ENPP2 Q13822 1/20 0.41
CD274 Q9NZQ7 1/20 0.40
LMNA P02545 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
SCHEMBL1385833 0.86 LTA4H (0.48) KDM4EALDH1A1HRH3MEN1KMT2A
SCHEMBL4045002 0.85 LTA4H (0.47) KDM4EALDH1A1HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL2583849 0.85 LTA4H (0.47) KDM4EALDH1A1HRH3HTTKCNH2
SCHEMBL2577848 0.85 LTA4H (0.47) KDM4EALDH1A1HRH3MEN1KMT2A
Oxalic Acid SCHEMBL2582750 0.83 KDM4E (0.55) KDM4EALDH1A1HRH3MEN1KMT2A
Oxalic Acid SCHEMBL2575764 0.82 NPC1 (0.56) KDM4EALDH1A1HRH3MEN1KMT2A
SCHEMBL1386826 0.82 ENPP2 (0.43) KDM4EALDH1A1HRH3MEN1KMT2A
SCHEMBL4051907 0.81 LTA4H (0.46) HRH3ENPP2
SCHEMBL2578648 0.81 LTA4H (0.46) HRH3ENPP2
SCHEMBL1385958 0.81 LTA4H (0.46) HRH3ENPP2

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
JP-4833078-B2 2011-12-07 JP claimed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN claimed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US claimed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN claimed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP claimed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US claimed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO claimed
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US disclosed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN disclosed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 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 (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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 KDM4E 4607/4885ALDH1A1 2487/4885HRH3 47/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 KDM4E 4615/4885ALDH1A1 2499/4885HRH3 47/4885

“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.