SCHEMBL3790073

SCHEMBL3790073

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
F2RL1 P55085 1/20 0.37
DGAT1 O75907 3/20 0.34
AURKA O14965 1/20 0.33
CDK1 P06493 1/20 0.33
AURKB Q96GD4 1/20 0.33
HRH3 Q9Y5N1 4/20 0.32
RBP4 P02753 1/20 0.32
NTRK1 P04629 1/20 0.32
ERN1 O75460 1/20 0.32
IL1B P01584 1/20 0.32
CCR1 P32246 3/20 0.32
HSD11B1 P28845 1/20 0.32
WNT3 P56703 1/20 0.31
SFRP1 Q8N474 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31

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 0.90 DGAT1 (0.42) F2RL1DGAT1RBP4ERN1IL1B
SCHEMBL3787166 0.89 SCN9A (0.40) SCN9AF2RL1DGAT1PIK3CDPIK3CA
SCHEMBL3791832 0.88 F2RL1 (0.40) SCN9AF2RL1DGAT1
SCHEMBL3790496 0.86 SCN9A (0.34) SCN9AF2RL1HRH3ERN1CCR1
SCHEMBL13228841 0.86 SCN9A (0.34) SCN9AF2RL1HRH3ERN1CCR1
SCHEMBL3788826 0.76 ERN1 (0.35) ERN1
SCHEMBL3687228 0.76 ERN1 (0.36) SCN9ARBP4ERN1
SCHEMBL1583795 0.76 ERN1 (0.43) ERN1
SCHEMBL3789230 0.76 ITGB2 (0.35) DGAT1ERN1PIK3CA
SCHEMBL13228818 0.75 P2RX7 (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 2892/4885F2RL1 4595/4885DGAT1 1663/4885

“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.