SCHEMBL5745204

SCHEMBL5745204

CN1CCN(C(c2ccc(-c3ccc(F)cc3)c(F)c2)c2cn[nH]c2-c2ccco2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
POLB P06746 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CHKA P35790 1/20 0.32
SLC1A2 P43004 1/20 0.32
MET P08581 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK14 Q16539 1/20 0.32
TGFBR1 P36897 1/20 0.31
TP53 P04637 1/20 0.31
ACHE P22303 1/20 0.31
TNIK Q9UKE5 1/20 0.31

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
SCHEMBL2001550 0.92 MAPT (0.37) LMNAALDH1A1GAAMAPTHTT
SCHEMBL2000031 0.91 MAPT (0.35) LMNAALDH1A1GAAMAPTHTT
SCHEMBL1995722 0.90 MAPT (0.35) LMNAALDH1A1GAAMAPTHTT
SCHEMBL2761010 0.90 MAPT (0.41) LMNAMAPTHTTNPSR1POLB
SCHEMBL1994787 0.85 MAPT (0.33) LMNAALDH1A1GAAMAPTHTT
SCHEMBL2006339 0.84 LMNA (0.44) LMNAALDH1A1GAAMAPTNPSR1
SCHEMBL2001837 0.83 LMNA (0.43) LMNAALDH1A1GAAMAPTHTT
SCHEMBL2761138 0.82 LMNA (0.40) LMNAMAPTHTTNPSR1POLB
SCHEMBL1998682 0.82 MAPT (0.35) LMNAMAPTHTTNPSR1MAPK1
SCHEMBL1999587 0.81 LMNA (0.44) LMNAALDH1A1GAAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 3297/4885ALDH1A1 1220/4885GAA 4616/4885

“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.