SCHEMBL1996071

SCHEMBL1996071

COCC(=O)N1CC2CC1CN2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.53
CHRNA4 P43681 10/20 0.53
CHRNA3 P32297 5/20 0.53
CHRNB3 Q05901 3/20 0.53
CHRNA6 Q15825 3/20 0.53
KDM1A O60341 4/20 0.39
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
FHIT P49789 1/20 0.32
CHRNB4 P30926 2/20 0.31
CHRNA7 P36544 2/20 0.31

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
SCHEMBL15447379 0.84 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL15447372 0.84 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12801548 0.81 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL18307174 0.81 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL618861 0.81 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL18700542 0.78 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL15249475 0.78 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1907507 0.78 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL2820401 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL4408215 0.75 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
EP-2513096-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-A MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
WO-2011075565-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-Aα MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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 (2 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-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R CHRNB2 3434/4885CHRNA4 3641/4885CHRNA3 3158/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R CHRNB2 3434/4885CHRNA4 3641/4885CHRNA3 3158/4885

“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.