SCHEMBL5046596

SCHEMBL5046596

O=C(Cc1cccc([CH]CCN2CCOCC2)c1)N1CCC(c2cccc(F)c2)=N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.45
SRC P12931 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
GRM5 P41594 1/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PADI4 Q9UM07 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2B Q13224 1/20 0.36
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5050458 0.92 MET (0.46) METSRCHDAC1HDAC8HDAC6
SCHEMBL5046800 0.88 MET (0.49) METSRCHDAC1HDAC8HDAC6
SCHEMBL5046612 0.83 GRM5 (0.37) METGRM5RAB9AALDH1A1MAOB
SCHEMBL979241 0.75 MET (0.40) METSRCTRPM8RAB9AALDH1A1
SCHEMBL5046797 0.75 MAOB (0.40) METRAB9AALDH1A1MAOBHPGD
SCHEMBL17004388 0.74 GRM5 (0.39) TRPM8GRM5RAB9AALDH1A1MAOB
SCHEMBL17004402 0.74 ORAI1 (0.49) GRM5ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL17004377 0.74 MET (0.44) METGRM5RAB9AALDH1A1NPC1
SCHEMBL12922939 0.72 MET (0.72) METEPHX2
SCHEMBL5046577 0.71 KIF11 (0.40) MET

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-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed

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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MET 1/4885SRC 79/4885TRPM8 4333/4885

“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.