SCHEMBL2575863

SCHEMBL2575863

Oc1nn(CCN2CCCCC2)cc1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HRH1 P35367 1/20 0.42
LMNA P02545 1/20 0.41
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39

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 SCHEMBL2582242 0.99 CHRNA7 (0.47) CHRNA7HRH3SIGMAR1FLT1FLT4
SCHEMBL2582043 0.87 CYP1A2 (0.49) HRH3DRD2DRD3HRH1LMNA
SCHEMBL1387115 0.87 CYP1A2 (0.49) HRH3DRD2DRD3HRH1LMNA
SCHEMBL1385170 0.85 CYP1A2 (0.45) HRH3SIGMAR1FLT1KDRDRD2
Hydrochloric Acid SCHEMBL2575875 0.85 CYP1A2 (0.48) HRH3DRD2DRD3HRH1LMNA
Hydrochloric Acid SCHEMBL2579622 0.85 CYP1A2 (0.48) HRH3DRD2DRD3HRH1LMNA
SCHEMBL2582105 0.85 CYP1A2 (0.47) HRH3DRD2DRD3HRH1LMNA
Hydrochloric Acid SCHEMBL2581066 0.84 CYP1A2 (0.44) HRH3SIGMAR1FLT1KDRDRD2
Hydrochloric Acid SCHEMBL2576692 0.84 CYP1A2 (0.46) HRH3DRD2DRD3HRH1LMNA
Hydrochloric Acid SCHEMBL2575839 0.83 CYP1A2 (0.43) HRH3SIGMAR1FLT1KDRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 CHRNA7 65/4885HRH3 47/4885SIGMAR1 200/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 CHRNA7 70/4885HRH3 47/4885SIGMAR1 191/4885

“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.