SCHEMBL3787436

SCHEMBL3787436

CC(C)(C)OC(=O)N1CC=C(c2cc(C(F)(F)F)c3nc(C(=O)N4CC=C(c5nccs5)C4)c(Cl)n3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
ENPP2 Q13822 2/20 0.38
GRM1 Q13255 6/20 0.38
GRM5 P41594 5/20 0.38
KIT P10721 4/20 0.37
GPR119 Q8TDV5 4/20 0.37
SOS1 Q07889 1/20 0.36
TNK2 Q07912 1/20 0.36
NAMPT P43490 1/20 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
SCHEMBL13229244 0.89 ULK1 (0.35)
SCHEMBL3786771 0.86 P2RX7 (0.33)
SCHEMBL3790304 0.85 P2RX7 (0.33)
SCHEMBL3789564 0.84 ULK1 (0.33)
SCHEMBL3787325 0.83 P2RX7 (0.37)
SCHEMBL3691038 0.81 PTK6 (0.35)
SCHEMBL3793484 0.81 P2RX7 (0.35)
SCHEMBL3793295 0.80 PTK6 (0.35)
SCHEMBL3790298 0.80 P2RX7 (0.37)
SCHEMBL3684563 0.80 P2RX7 (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 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 (1 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 CNR1 524/4885ENPP2 4065/4885GRM1 3072/4885

“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.