SCHEMBL3690171

SCHEMBL3690171

O=C(Cc1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(c2cccc(F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.39
PRCP P42785 1/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CHRM4 P08173 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3694950 0.87 SCD5 (0.46) SCD5CNR1NPC1
SCHEMBL3689617 0.85 SCD5 (0.40) SCD5CNR1CHRM4NPC1KMT2A
SCHEMBL3694774 0.85 SCD5 (0.45) SCD5CNR1
SCHEMBL3686135 0.84 SCD5 (0.41) SCD5PRCPCNR1ALDH1A1POLB
SCHEMBL3698154 0.84 SCD5 (0.42) SCD5KMT2A
SCHEMBL3691914 0.81 SCD5 (0.44) SCD5CNR1NPC1KMT2A
SCHEMBL3688724 0.81 SCD5 (0.41) SCD5NPC1KMT2A
SCHEMBL3692964 0.80 SCD5 (0.48) SCD5NPC1
SCHEMBL3691242 0.80 SCD5 (0.48) SCD5NPC1
SCHEMBL3691240 0.80 SCD5 (0.48) SCD5NPC1

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 7 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
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 2314/4885PRCP 1539/4885CNR1 524/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SCD5 2314/4885PRCP 1539/4885CNR1 524/4885

“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.