SCHEMBL3787166

SCHEMBL3787166

NC(=O)C1CCCN1C(=O)c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
PIK3CA P42336 5/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CG P48736 4/20 0.38
PIK3CB P42338 3/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
F2RL1 P55085 1/20 0.37
CNR2 P34972 5/20 0.36
PDK2 Q15119 1/20 0.36
FPR2 P25090 1/20 0.35
DGAT1 O75907 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAK O14976 1/20 0.34
PRKACG P22612 1/20 0.34
PIK3R1 P27986 1/20 0.34
MTOR P42345 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL3797226 0.92 DGAT1 (0.42) F2RL1DGAT1
SCHEMBL3791832 0.89 F2RL1 (0.40) SCN9AF2RL1CNR2PDK2FPR2
SCHEMBL3790073 0.89 SCN9A (0.42) SCN9APIK3CAPIK3CDPIK3CGF2RL1
SCHEMBL13228840 0.85 DPP4 (0.37) SCN9APIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3792595 0.85 DPP4 (0.37) SCN9APIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3792644 0.82 SPHK2 (0.38) SCN9APIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3787977 0.81 ERN1 (0.42) SCN9APIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL3687228 0.80 ERN1 (0.36) SCN9A
Hydrochloric Acid SCHEMBL3688734 0.79 ERN1 (0.36) SCN9A
SCHEMBL1583795 0.78 ERN1 (0.43)

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 SCN9A 2892/4885PIK3CA 2396/4885PIK3CD 3161/4885

“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.