SCHEMBL3690179

SCHEMBL3690179

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cccc(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.39
SCD5 Q86SK9 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCB1 P08183 1/20 0.35
NAMPT P43490 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
USP2 O75604 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
RIPK1 Q13546 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL3686611 0.93 MAPT (0.40) SCDSCD5MAPTLMNAHTT
SCHEMBL3703873 0.92 ABCB1 (0.34) SCDSCD5MAPTLMNAHTT
SCHEMBL3691190 0.92 SCD (0.37) SCDSCD5MAPTLMNAHTT
SCHEMBL3690381 0.92 NAMPT (0.35) SCDSCD5MAPTLMNAHTT
SCHEMBL3784157 0.90 P2RX7 (0.35) SCDSCD5MAPTLMNAHTT
SCHEMBL3692062 0.90 TRPV1 (0.34) SCDSCD5MAPTLMNAHTT
SCHEMBL3689929 0.89 ALDH1A1 (0.34) SCDSCD5MAPTNAMPTALDH1A1
SCHEMBL3789695 0.89 P2RX7 (0.35) SCDSCD5MAPTLMNAHTT
SCHEMBL13261355 0.89 NAMPT (0.37) SCDSCD5MAPTNAMPTALDH1A1
SCHEMBL3786649 0.89 SCD (0.35) SCDSCD5MAPTLMNAHTT

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 SCD 1226/4885SCD5 2314/4885MAPT 1692/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SCD 1226/4885SCD5 2314/4885MAPT 1692/4885

“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.