SCHEMBL3689371

SCHEMBL3689371

Fc1cccc(C2CCN(Cc3cn4cc(-c5ccoc5)cc(C(F)(F)F)c4n3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.36
SIGMAR1 Q99720 3/20 0.36
DRD2 P14416 2/20 0.33
SCD5 Q86SK9 2/20 0.33
GRM2 Q14416 1/20 0.33
CCR5 P51681 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CNR2 P34972 1/20 0.32
CHRM4 P08173 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
SCHEMBL3686135 0.86 SCD5 (0.41) SCD5ALDH1A1
SCHEMBL3688656 0.81 SCD5 (0.50) SCD5
SCHEMBL3688597 0.74 CETP (0.40) GRM2CNR2
SCHEMBL3689617 0.74 SCD5 (0.40) SCD5LMNACHRM4
SCHEMBL3691914 0.73 SCD5 (0.44) SCD5
SCHEMBL3694950 0.73 SCD5 (0.46) SCD5
SCHEMBL3690171 0.73 SCD5 (0.39) SCD5ALDH1A1CHRM4
SCHEMBL3689416 0.73 ERN1 (0.41)
SCHEMBL3789342 0.73 ERN1 (0.38)
SCHEMBL3684681 0.73 ERN1 (0.38)

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 DRD4 4350/4885SIGMAR1 426/4885DRD2 4664/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 DRD4 4350/4885SIGMAR1 426/4885DRD2 4664/4885

“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.