SCHEMBL618438

SCHEMBL618438

Clc1cc(OC[C@@H]2C[C@@H]3C[C@@H]3CN2)cc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.45
CHRNA4 P43681 13/20 0.45
CHRNA3 P32297 8/20 0.42
CHRNB4 P30926 6/20 0.42
CHRNA7 P36544 1/20 0.41
CYP2D6 P10635 4/20 0.41
CYP3A4 P08684 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
SCHEMBL619863 0.82 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10145405 0.75 CHRNA3 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10121975 0.73 CHRNB2 (0.38) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1367407 0.69 PARP15 (0.40) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL607998 0.65 NPC1 (0.35) CHRNB2CHRNA4CYP2D6CYP3A4
SCHEMBL610705 0.64 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL7862956 0.64 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL695403 0.64 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL611439 0.64 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL10121582 0.63 HPGD (0.38) CHRNB2CHRNA4CHRNA7

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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 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-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R CHRNB2 120/4885CHRNA4 69/4885CHRNA3 77/4885

“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.