SCHEMBL2581779

SCHEMBL2581779

Clc1ccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPY1R P25929 1/20 0.40
MCHR1 Q99705 3/20 0.40
PTGS1 P23219 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL1384777 0.88 HRH3 (0.41) LTA4HNPC1RAB9ASMN1; SMN2KDM4E
Oxalic Acid SCHEMBL2581793 0.84 NPC1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EHRH3
SCHEMBL1386729 0.83 LTA4H (0.43) LTA4HNPC1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL2577848 0.82 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4045002 0.82 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2575882 0.82 CNR1 (0.44) LTA4HNPC1RAB9ASIGMAR1SMN1; SMN2
SCHEMBL1384298 0.82 BCHE (0.43) LTA4HNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1385833 0.81 LTA4H (0.48) LTA4HNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2583849 0.80 LTA4H (0.47) LTA4HNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2581838 0.80 HRH3 (0.46) HRH3ALDH1A1MCHR1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LTA4H 3842/4885NPC1 2266/4885RAB9A 3390/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 LTA4H 3863/4885NPC1 2165/4885RAB9A 3384/4885

“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.