SCHEMBL6758154

SCHEMBL6758154

Fc1ccc(NC2CC3CCC(C2)N3Cc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 10/20 0.65
ROCK2 O75116 2/20 0.61
ARHGDIA P52565 2/20 0.61
ROCK1 Q13464 2/20 0.61
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
KCNH2 Q12809 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
SLC6A2 P23975 1/20 0.56
DRD3 P35462 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL6758155 1.00 LTA4H (0.65) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL5595279 0.89 LTA4H (0.54) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL14439615 0.89 LTA4H (0.54) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL5595280 0.89 LTA4H (0.54) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL6017233 0.80 MEN1 (0.54) LTA4HROCK2ARHGDIAROCK1OPRM1
SCHEMBL3872086 0.78 SIGMAR1 (0.67) OPRK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3997031 0.77 ACHE (0.68) LTA4HROCK2ROCK1ALDH1A1
SCHEMBL1974051 0.76 ROCK2 (1.00) ROCK2ARHGDIAROCK1
SCHEMBL12530366 0.76 ALDH1A1 (0.62) LTA4HOPRM1OPRD1OPRK1KCNH2
SCHEMBL31210789 0.76 ALDH1A1 (0.58) LTA4HROCK2ARHGDIAROCK1OPRM1

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-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 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-20040063688-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 LTA4H 1151/4885ROCK2 2297/4885ARHGDIA 1265/4885

“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.