SCHEMBL7683287

SCHEMBL7683287

CCCOc1cncc(N2C[C@H]3CN(C(=O)O)C[C@H]3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.52
CHRNA4 P43681 5/20 0.52
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42

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
SCHEMBL649503 0.85 CHRNB2 (0.47) CHRNB2CHRNA4HCRTR1HCRTR2CHRNB4
SCHEMBL649502 0.85 CHRNB2 (0.47) CHRNB2CHRNA4HCRTR1HCRTR2CHRNB4
SCHEMBL651044 0.80 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL651042 0.80 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1843239 0.76 CYP2C9 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL651095 0.76 CHRNB2 (0.58) CHRNB2CHRNA4HCRTR1HCRTR2CHRNB4
SCHEMBL651096 0.76 CHRNB2 (0.58) CHRNB2CHRNA4HCRTR1HCRTR2CHRNB4
SCHEMBL2064797 0.74 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11028141 0.74 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23701407 0.73 MAPT (0.48) HCRTR1HCRTR2

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-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 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-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885HCRTR1 163/4885

“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.