SCHEMBL7500064

SCHEMBL7500064

N[C@H]1CN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C[C@@H]1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
CCR5 P51681 2/20 0.32
SCD5 Q86SK9 2/20 0.32
PLAU P00749 1/20 0.31
DPP4 P27487 1/20 0.31
ERN1 O75460 1/20 0.31
CHRNA4 P43681 1/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL3690401 1.00 USP2 (0.33) USP2CCR5SCD5PLAUDPP4
SCHEMBL7491631 0.91 TACR1 (0.34) USP2CCR5SCD5ERN1CHRNA4
SCHEMBL3650212 0.91 TACR1 (0.34) USP2CCR5SCD5ERN1CHRNA4
SCHEMBL3690542 0.87 ERN1 (0.35) USP2ERN1CHRNA4
SCHEMBL3690048 0.87 SLC6A9 (0.34) USP2CCR5SCD5
SCHEMBL7491356 0.87 TLR2 (0.35) TACR1
SCHEMBL3686935 0.87 TLR2 (0.35) TACR1
SCHEMBL7501105 0.87 SLC6A9 (0.34) USP2CCR5SCD5
Hydrochloric Acid SCHEMBL3689564 0.87 ERN1 (0.34) USP2ERN1CHRNA4
SCHEMBL3684175 0.86 SLC6A9 (0.35) USP2

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-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

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 USP2 3568/4885CCR5 685/4885SCD5 2314/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 USP2 3568/4885CCR5 685/4885SCD5 2314/4885

“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.