SCHEMBL5952730

SCHEMBL5952730

CN(C)C1CCN(Cc2ccc(-c3cc(CF)cc(CF)c3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HRH3 Q9Y5N1 8/20 0.49
LTA4H P09960 1/20 0.47
GRM2 Q14416 1/20 0.46
MAP4K4 O95819 2/20 0.45
MELK Q14680 2/20 0.43
JAK2 O60674 1/20 0.43
PARP1 P09874 2/20 0.42
TNKS O95271 1/20 0.42
CHRM4 P08173 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL5166411 0.84 GRM2 (0.56) HDAC1HRH3LTA4HGRM2MAP4K4
SCHEMBL5166151 0.84 HDAC1 (0.49) HDAC1HRH3LTA4HGRM2JAK2
SCHEMBL13771990 0.83 MAP4K4 (0.42) HDAC1HRH3LTA4HGRM2MAP4K4
SCHEMBL5165935 0.82 HDAC1 (0.63) HDAC1HRH3LTA4HJAK2CHRM4
SCHEMBL5165601 0.81 HDAC1 (0.56) HDAC1HRH3LTA4HGRM2MELK
SCHEMBL5164995 0.81 HDAC1 (0.53) HDAC1HRH3LTA4HGRM2JAK2
SCHEMBL5191116 0.80 LSS (0.52) HDAC1HRH3LTA4HGRM2MAP4K4
SCHEMBL5188483 0.80 LSS (0.52) HDAC1HRH3LTA4HGRM2MAP4K4
SCHEMBL19496612 0.79 HDAC1 (0.55) HDAC1HRH3LTA4HGRM2JAK2
SCHEMBL5952015 0.79 HDAC1 (0.57) HDAC1HRH3LTA4HGRM2JAK2

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-20060014733-A1 Histamine-3 agonists and antagonists PFIZER INC 2006-01-19 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-20060014733-A1 Histamine-3 agonists and antagonists HRH3, HRH4, HRH2 HDAC1 1532/4885HRH3 1/4885LTA4H 395/4885

“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.