SCHEMBL1386220

SCHEMBL1386220

CCN(CC)CCn1cc(-c2ccccc2)c(O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
PTGIR P43119 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.38
SIGMAR1 Q99720 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
DNMT1 P26358 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 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
Hydrochloric Acid SCHEMBL2577845 0.99 POLB (0.43) POLBSCN1ASCN2ASCN3APTGIR
SCHEMBL1386926 0.85 PTGIR (0.42) PTGIRMAPTALDH1A1KDM4EHPGD
SCHEMBL11494877 0.84 PTGIR (0.53) POLBSCN1ASCN2ASCN3APTGIR
Hydrochloric Acid SCHEMBL2580812 0.84 ESRRG (0.43) POLBPTGIRMAPTALDH1A1KDM4E
SCHEMBL23398728 0.83 PTGIR (0.44) PTGIRMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL11492696 0.83 PTGIR (0.52) POLBSCN1ASCN2ASCN3APTGIR
SCHEMBL23403702 0.82 PTGIR (0.47) PTGIRMAPTALDH1A1KMT2AMEN1
SCHEMBL1384048 0.82 KDM5B (0.40) PTGIRMAPTALDH1A1KMT2AMEN1
SCHEMBL1385611 0.81 PTGIR (0.44) SCN1ASCN2ASCN3APTGIRMAPT
Hydrochloric Acid SCHEMBL2579363 0.80 PTGIR (0.43) SCN1ASCN2ASCN3APTGIRMAPT

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 16 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-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 claimed
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 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
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
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 POLB 3653/4885SCN1A 820/4885SCN2A 573/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 POLB 3660/4885SCN1A 828/4885SCN2A 584/4885

“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.