SCHEMBL3390139

SCHEMBL3390139

FC(F)(F)c1ccc(NC[C@@H]2C[C@H]3C[C@H]3CN2)nc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IL1B P01584 2/20 0.41
NPY5R Q15761 1/20 0.37
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37

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
SCHEMBL262567 1.00 NPC1 (0.42) NPC1RAB9AIL1BNPY5RHCRTR1
SCHEMBL3390142 1.00 NPC1 (0.42) NPC1RAB9AIL1BNPY5RHCRTR1
SCHEMBL262568 1.00 NPC1 (0.42) NPC1RAB9AIL1BNPY5RHCRTR1
SCHEMBL3389647 0.83 IL1B (0.35) IL1BHCRTR1HCRTR2
SCHEMBL3389643 0.83 IL1B (0.35) IL1BHCRTR1HCRTR2
SCHEMBL262092 0.81 HCRTR1 (0.36) IL1BHCRTR1HCRTR2
SCHEMBL262093 0.81 HCRTR1 (0.36) IL1BHCRTR1HCRTR2
SCHEMBL6523847 0.79 NPC1 (0.41) NPC1RAB9AIL1BHCRTR1HCRTR2
SCHEMBL3387279 0.79 IL1B (0.44) IL1BHCRTR1HCRTR2
SCHEMBL3387277 0.79 IL1B (0.44) IL1BHCRTR1HCRTR2

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
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B NPC1 139/4885RAB9A 308/4885IL1B 4464/4885

“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.