SCHEMBL10121975

SCHEMBL10121975

Clc1ccnc(OC[C@@H]2C[C@@H]3C[C@@H]3CN2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.38
CHRNA4 P43681 14/20 0.38
CHRNB4 P30926 5/20 0.34
CHRNA3 P32297 5/20 0.34
CYP2D6 P10635 3/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL7867429 0.84 CHRNA3 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL619863 0.81 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
SCHEMBL607998 0.81 NPC1 (0.35) CHRNB2CHRNA4CYP2D6
SCHEMBL10144800 0.77 CHRNA3 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL618438 0.73 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6
SCHEMBL611439 0.69 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL10121582 0.68 HPGD (0.38) CHRNB2CHRNA4CHRNA7
SCHEMBL28033552 0.68 SLC6A4 (0.47)
SCHEMBL695403 0.67 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL610705 0.67 CHRNB2 (0.43) CHRNB2CHRNA4

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 CHRNB2 120/4885CHRNA4 69/4885CHRNB4 96/4885

“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.