SCHEMBL3797226

SCHEMBL3797226

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.42
F2RL1 P55085 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.36
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
ITGAL P20701 2/20 0.35
ALDH1A1 P00352 1/20 0.35
IL1B P01584 1/20 0.34
ERN1 O75460 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RBP4 P02753 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
SCHEMBL3787166 0.92 SCN9A (0.40) DGAT1F2RL1
SCHEMBL3790073 0.90 SCN9A (0.42) DGAT1F2RL1IL1BERN1RBP4
SCHEMBL3791832 0.90 F2RL1 (0.40) DGAT1F2RL1
SCHEMBL3789230 0.85 ITGB2 (0.35) DGAT1LOXL2ITGB2ICAM1ITGAL
SCHEMBL1583795 0.80 ERN1 (0.43) ALDH1A1ERN1L3MBTL1
SCHEMBL3687228 0.79 ERN1 (0.36) ERN1RBP4
Hydrochloric Acid SCHEMBL3688734 0.78 ERN1 (0.36) ERN1RBP4
SCHEMBL13228840 0.78 DPP4 (0.37)
SCHEMBL3792595 0.78 DPP4 (0.37)
SCHEMBL3684051 0.78 SCD5 (0.43) F2RL1RBP4

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed

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 DGAT1 1663/4885F2RL1 4595/4885LOXL2 4528/4885

“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.