SCHEMBL10121582

SCHEMBL10121582

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
LIPE Q05469 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
GABRA5 P31644 1/20 0.37
HSD11B1 P28845 3/20 0.36
HSD11B2 P80365 3/20 0.36
HCRTR2 O43614 3/20 0.36
HCRTR1 O43613 2/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CHRNA7 P36544 1/20 0.36
SCN9A Q15858 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 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
SCHEMBL608698 0.88 HPGD (0.36) HPGDLIPEGABRA5KMT2AMAPK1
SCHEMBL607998 0.81 NPC1 (0.35) CHRNB2CHRNA4KMT2AMAPK1LTA4H
SCHEMBL7862956 0.81 CHRNB2 (0.43) CHRNB2CHRNA4HCRTR1
SCHEMBL695403 0.81 CHRNB2 (0.43) CHRNB2CHRNA4HCRTR1
SCHEMBL610705 0.81 CHRNB2 (0.43) CHRNB2CHRNA4HCRTR1
SCHEMBL9895811 0.79 LIPE (0.41) HPGDLIPEGABRA5HCRTR1MAPK1
SCHEMBL611439 0.77 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL22761804 0.76 LTA4H (0.57) SCN9ALTA4H
SCHEMBL3390142 0.76 NPC1 (0.42) HCRTR2HCRTR1
SCHEMBL262568 0.76 NPC1 (0.42) HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HPGD 626/4885LIPE 2164/4885CHRNB2 120/4885

“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.