SCHEMBL3687697

SCHEMBL3687697

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(c2cccnc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.44
NAMPT P43490 1/20 0.43
HSD11B1 P28845 3/20 0.40
SCD5 Q86SK9 5/20 0.40
SCD O00767 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC9A1 P19634 1/20 0.38
RBP4 P02753 4/20 0.36
RORC P51449 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
KDM5A P29375 1/20 0.34
F10 P00742 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
SCHEMBL3692964 0.92 SCD5 (0.48) SPRSCD5SCDRBP4
SCHEMBL3691240 0.92 SCD5 (0.48) SPRSCD5SCDRBP4
SCHEMBL3691242 0.92 SCD5 (0.48) SPRSCD5SCDRBP4
SCHEMBL3693739 0.91 SPR (0.41) SPRNAMPTHSD11B1SCD5SCD
SCHEMBL3688724 0.89 SCD5 (0.41) HSD11B1SCD5SLC9A1RBP4
SCHEMBL3694950 0.89 SCD5 (0.46) SCD5SCDRBP4KDM5A
SCHEMBL3696219 0.88 SCD5 (0.40) SCD5SCDSLC9A1RBP4TYRO3
SCHEMBL3650104 0.88 TRPV1 (0.40) SCD5SLC9A1RBP4KDM5A
SCHEMBL3686875 0.88 SCD5 (0.40) NAMPTHSD11B1SCD5CYP2C9SLC9A1
SCHEMBL3690688 0.88 SCD5 (0.42) SPRSCD5SCDRBP4

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 SPR 2293/4885NAMPT 65/4885HSD11B1 2958/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SPR 2293/4885NAMPT 65/4885HSD11B1 2958/4885

“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.