SCHEMBL2004264

SCHEMBL2004264

Fc1ccc(-c2ccc(C(c3cn[nH]c3-c3ccco3)N3CCNCC3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.41
HTR7 P34969 7/20 0.41
HTR2B P41595 6/20 0.41
HTR6 P50406 6/20 0.41
HTR1D P28221 3/20 0.39
HTR3A P46098 3/20 0.39
HTR2A P28223 2/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
P4HB P07237 1/20 0.34
FLT3 P36888 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ACVR1 Q04771 1/20 0.32

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
SCHEMBL1994787 0.90 MAPT (0.33) HTR1AHTR7HTR2BHTR6FLT3
SCHEMBL1998216 0.88 LMNA (0.42) FLT3HRH3LMNAALDH1A1GAA
SCHEMBL1998839 0.85 GSK3B (0.34) HTR1AHTR7HTR2BHTR6FLT3
SCHEMBL1998682 0.81 MAPT (0.35) HTR1AHTR7HTR2BHTR6FLT3
SCHEMBL1998528 0.80 LMNA (0.42) HTR7HRH3LMNAALDH1A1GAA
SCHEMBL2761010 0.78 MAPT (0.41) HTR1AHTR7HTR2BHTR6HTR2A
SCHEMBL2761138 0.78 LMNA (0.40) HTR1AHTR7HTR2BHTR6P4HB
SCHEMBL1995722 0.77 MAPT (0.35) HTR1AHTR7HTR2BHTR6FLT3
SCHEMBL1998346 0.76 GSK3B (0.34) HTR7FLT3LMNAMAPTL3MBTL1
SCHEMBL2761238 0.76 LMNA (0.51) HTR1AHTR2BHTR2AHTR2CHRH1

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-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 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-20060276650-A1 Pyrazole compounds HTR1D, HTR1A, HTR3A HTR1A 2/4885HTR7 16/4885HTR2B 15/4885

“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.