SCHEMBL4200398

SCHEMBL4200398

CC1(c2ccccc2F)CC[N]CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.41
OPRL1 P41146 3/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
BACE1 P56817 2/20 0.34
ELOVL1 Q9BW60 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33

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
SCHEMBL15621612 0.86 HDAC4 (0.43) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL256776 0.82 HDAC4 (0.44) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL12203839 0.82 HDAC4 (0.49) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL3115885 0.81 OPRM1 (0.51) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL9393626 0.78 HDAC4 (0.39) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL10820262 0.77 SIGMAR1 (0.41) HDAC4OPRM1
SCHEMBL6926820 0.76 OPRD1 (0.44) HDAC4OPRL1OPRM1OPRD1OPRK1
SCHEMBL6926217 0.72 OPRM1 (0.42) OPRL1OPRM1OPRD1OPRK1HSD11B1
SCHEMBL1366868 0.71 OPRL1 (0.41) OPRL1OPRM1OPRD1OPRK1BACE1
SCHEMBL12475301 0.70 BACE1 (0.39) HDAC4OPRL1OPRM1OPRD1OPRK1

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-20090062277-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. 2009-03-05 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-20090062277-A1 PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE12, PDE10A HDAC4 100/4885OPRL1 1140/4885OPRM1 2663/4885

“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.