SCHEMBL3789930

SCHEMBL3789930

O=C(c1cn2cccc(C(F)(F)F)c2n1)N1CCC(c2cccc(F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 7/20 0.53
RBP4 P02753 7/20 0.51
GFER P55789 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL3695467 0.86 SCD5 (0.58) SCD5RBP4NPC1RAB9AATM
SCHEMBL3688656 0.82 SCD5 (0.50) SCD5RBP4NPC1RAB9AATM
SCHEMBL3693805 0.82 SCD5 (0.47) SCD5RBP4PARP10
SCHEMBL3650369 0.77 SCD5 (0.46) SCD5RBP4NPC1RAB9AATM
SCHEMBL3646935 0.74 SCD5 (0.60) SCD5NPC1RAB9AATM
SCHEMBL3683420 0.73 SCD5 (0.52) SCD5GFERNPC1RAB9AATM
SCHEMBL3688733 0.73 SCD5 (0.47) SCD5RBP4NPC1RAB9AATM
SCHEMBL3686449 0.73 SCD5 (0.41) SCD5RAB9A
SCHEMBL3684051 0.72 SCD5 (0.43) SCD5RBP4NPC1RAB9AATM
SCHEMBL3686632 0.72 SCD5 (0.49) SCD5RBP4NPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SCD5 2314/4885RBP4 1868/4885GFER 1240/4885

“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.