SCHEMBL4931016

SCHEMBL4931016

CC(CO)N(C)c1nc(-c2ccc(F)cc2)cc(N2CCC(c3nccn3C)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
RPS6KB1 P23443 12/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKT1 P31749 9/20 0.33
F10 P00742 1/20 0.33
AKT2 P31751 2/20 0.32
KCNH2 Q12809 2/20 0.32
AKT3 Q9Y243 2/20 0.32
FAAH O00519 1/20 0.32
CYP2B6 P20813 1/20 0.32
SCD O00767 1/20 0.32

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
SCHEMBL14184758 0.80 SCN9A (0.42) SCN9ARPS6KB1MAPK1HSD17B10AKT1
SCHEMBL4920729 0.77 HSD17B10 (0.47) RPS6KB1MAPK1HSD17B10AKT1FAAH
SCHEMBL4923945 0.76 SYK (0.44) RPS6KB1MAPK1HSD17B10AKT1FAAH
SCHEMBL4931945 0.75 PIK3CA (0.46) RPS6KB1MAPK1HSD17B10
SCHEMBL4919626 0.72 MAP3K12 (0.39) RPS6KB1MAPK1HSD17B10AKT1F10
SCHEMBL4928603 0.68 HSD17B10 (0.41) MAPK1HSD17B10FAAH
SCHEMBL4927406 0.67 MKNK1 (0.41) RPS6KB1AKT1F10
SCHEMBL13761617 0.67 TRPV1 (0.35)
SCHEMBL3880914 0.67 TRPV1 (0.35)
SCHEMBL4923903 0.67 RPS6KB1 (0.39) RPS6KB1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 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-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 SCN9A 2748/4885RPS6KB1 1053/4885MAPK1 3040/4885

“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.