SCHEMBL3686875

SCHEMBL3686875

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(c2ccc(F)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 4/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
NAMPT P43490 2/20 0.38
HSD11B1 P28845 1/20 0.38
CNR1 P21554 2/20 0.37
PROKR1 Q8TCW9 1/20 0.36
KDM5A P29375 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC9A1 P19634 1/20 0.36
CYP2C19 P33261 1/20 0.36
RBP4 P02753 5/20 0.36

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
SCHEMBL3697130 0.96 PROKR1 (0.41) PROKR1
SCHEMBL3691855 0.96 HSD11B1 (0.39) SCD5NAMPTHSD11B1CNR1CYP3A4
SCHEMBL3650104 0.94 TRPV1 (0.40) SCD5PROKR1KDM5ASLC9A1RBP4
SCHEMBL3692964 0.93 SCD5 (0.48) SCD5NPC1RAB9AATMRBP4
SCHEMBL3691240 0.93 SCD5 (0.48) SCD5NPC1RAB9AATMRBP4
SCHEMBL3691242 0.93 SCD5 (0.48) SCD5NPC1RAB9AATMRBP4
SCHEMBL3688356 0.92 SCD5 (0.38) SCD5PROKR1KDM5ASLC9A1RBP4
SCHEMBL3693739 0.92 SPR (0.41) SCD5NAMPTHSD11B1PROKR1KDM5A
SCHEMBL3694950 0.92 SCD5 (0.46) SCD5NPC1RAB9AATMCNR1
SCHEMBL3687840 0.91 SCD5 (0.39) SCD5NPC1RAB9AATMNAMPT

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 SCD5 2314/4885NPC1 229/4885RAB9A 3638/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SCD5 2314/4885NPC1 229/4885RAB9A 3638/4885

“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.