Sugi Predict

Sugi Predict / Compounds / SCHEMBL3706840

SCHEMBL3706840

SCHEMBL3706840

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ PROKR1 Q8TCW9 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ SLC6A9 P48067 2/20 0.33
▸ ERN1 O75460 1/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ FASN P49327 2/20 0.32
▸ SCD5 Q86SK9 3/20 0.32
▸ SCD O00767 2/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ NPBWR1 P48145 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ CNR1 P21554 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
SCHEMBL3650104 0.94 TRPV1 (0.40) TRPV1PROKR1EPHX2FASNSCD5
SCHEMBL3686875 0.87 SCD5 (0.40) PROKR1SCD5RBP4CNR1
SCHEMBL3693739 0.87 SPR (0.41) TRPV1PROKR1SCD5SCDRBP4
SCHEMBL3690542 0.87 ERN1 (0.35) TRPV1ERN1CHRNA4
SCHEMBL3697130 0.86 PROKR1 (0.41) PROKR1KMT2A
Hydrochloric Acid SCHEMBL3689564 0.86 ERN1 (0.34) TRPV1ERN1CHRNA4
SCHEMBL3692964 0.86 SCD5 (0.48) SCD5SCDRBP4
SCHEMBL3691240 0.86 SCD5 (0.48) SCD5SCDRBP4
SCHEMBL3691242 0.86 SCD5 (0.48) SCD5SCDRBP4
SCHEMBL3691855 0.86 HSD11B1 (0.39) SCD5RBP4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 TRPV1 1682/4885PROKR1 4829/4885EPHX2 1834/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 TRPV1 1682/4885PROKR1 4829/4885EPHX2 1834/4885

“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.