SCHEMBL3693532

SCHEMBL3693532

O=C(O)C1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
MAPT P10636 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 2/20 0.36
S1PR1 P21453 3/20 0.36
RAB9A P51151 1/20 0.36
RORC P51449 4/20 0.36
DHFR P00374 1/20 0.36
NOTUM Q6P988 4/20 0.36
SCD5 Q86SK9 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL3785389 0.91 MGLL (0.46) HSD11B1MGLL
SCHEMBL3793710 0.90 KDM1A (0.38) HSD11B1TRPV1MGLLSCD5TYRO3
SCHEMBL3690688 0.89 SCD5 (0.42) SCD5
SCHEMBL3688380 0.89 TRPV1 (0.43) MAPTTRPV1MGLLNOTUM
SCHEMBL3645737 0.89 HDAC4 (0.42) HSD11B1MAPTTRPV1RORCSCD5
SCHEMBL3694905 0.89 HDAC4 (0.42) HSD11B1MAPTTRPV1RORCSCD5
SCHEMBL3650416 0.88 KCNH2 (0.36) HSD11B1TRPV1SCD5TYRO3MERTK
SCHEMBL3789320 0.88 KCNH2 (0.36) HSD11B1TRPV1SCD5TYRO3MERTK
SCHEMBL3791014 0.88 L3MBTL3 (0.39) TRPV1
SCHEMBL3694458 0.88 TSHR (0.43) RAB9A

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 8 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
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP 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
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 WO 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 HSD11B1 2958/4885MAPT 1692/4885TRPV1 1682/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HSD11B1 2958/4885MAPT 1692/4885TRPV1 1682/4885

“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.