SCHEMBL12374967

SCHEMBL12374967

CC(=O)CN1CCC(C(C)(C)C)C(F)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.34
CACNA1I Q9P0X4 2/20 0.34
CACNA1G O43497 1/20 0.34
CHRM2 P08172 1/20 0.34
HRH1 P35367 1/20 0.34
HTR4 Q13639 1/20 0.34
CACNA1C Q13936 1/20 0.34
OPRM1 P35372 1/20 0.33
GPR119 Q8TDV5 1/20 0.31
OPRL1 P41146 1/20 0.30

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
SCHEMBL12384652 0.78 KDM4E (0.33) OPRM1
SCHEMBL15925075 0.78 KDM4E (0.33) OPRM1
SCHEMBL12384802 0.78 KDM4E (0.33) OPRM1
SCHEMBL12635251 0.77 DPP4 (0.37) CHRM2
SCHEMBL12635252 0.77 DPP4 (0.37) CHRM2
SCHEMBL24828000 0.77 KCNH2 (0.30) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL15925129 0.77 SLC18A3 (0.37) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL12374972 0.76 HSD11B1 (0.38) KCNH2OPRL1
SCHEMBL15925101 0.75 DRD2 (0.38)
SCHEMBL23344995 0.75 EPHX2 (0.41) KCNH2OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 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-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG KCNH2 4494/4885CACNA1I 4592/4885CACNA1G 4613/4885

“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.