SCHEMBL1807232

SCHEMBL1807232

O=C(O)N1CC2CCNc3ccccc3C2C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA7 P36544 3/20 0.39
CHRNA4 P43681 3/20 0.39
F12 P00748 15/20 0.38
HSD11B1 P28845 2/20 0.37
F2 P00734 4/20 0.35

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
SCHEMBL1807226 1.00 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1807228 1.00 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1804923 0.82 L3MBTL1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1806070 0.82 HCRTR1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1808615 0.82 SIRT2 (0.39) F12HSD11B1F2
SCHEMBL1808618 0.82 SIRT2 (0.39) F12HSD11B1F2
SCHEMBL1808616 0.82 SIRT2 (0.39) F12HSD11B1F2
SCHEMBL1804920 0.82 L3MBTL1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1806073 0.82 HCRTR1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1804922 0.82 L3MBTL1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CHRNB2 273/4885CHRNB4 270/4885CHRNA3 139/4885

“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.