SCHEMBL2579606

SCHEMBL2579606

Cc1c(F)c(F)cc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LTA4H P09960 2/20 0.38
BCHE P06276 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPY1R P25929 1/20 0.38
KCNH2 Q12809 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1384517 0.85 LTA4H (0.43) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL4045002 0.80 LTA4H (0.47) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL2577848 0.80 LTA4H (0.47) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL2580788 0.80 LTA4H (0.43) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL2582255 0.80 KCNH2 (0.43) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL1383912 0.79 MET (0.44) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL1385833 0.79 LTA4H (0.48) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL2580924 0.79 HRH3 (0.48) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL2575690 0.79 LTA4H (0.42) MCHR1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL1386729 0.79 LTA4H (0.43) MCHR1NPC1RAB9ASMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MCHR1 2014/4885NPC1 2266/4885RAB9A 3390/4885

“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.