SCHEMBL1991386

SCHEMBL1991386

CCCOCCC(c1ccc(Cl)cc1)c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
HRH1 P35367 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
CHRM2 P08172 3/20 0.38
ADRA2B P18089 3/20 0.38
KCNH2 Q12809 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
HRH2 P25021 2/20 0.38
HTR2A P28223 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
ADRA1A P35348 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL650314 0.81 ESR1 (0.33) SLC6A2SLC6A4SLC6A3HRH1HRH3
SCHEMBL4383675 0.81 HTR2A (0.38) HRH3HTR2ATSHRNFKB1THPO
SCHEMBL4388946 0.76
SCHEMBL8115859 0.75 BLM (0.37) SLC6A2SLC6A4SLC6A3HRH1HRH3
SCHEMBL4387548 0.73 HRH3 (0.36) HRH3
SCHEMBL8107761 0.73 SLC6A4 (0.34) SLC6A2SLC6A4SLC6A3HRH1HRH3
SCHEMBL2105057 0.72 CHRM2 (0.41) SLC6A2SLC6A4HRH1CHRM2HTR2A
SCHEMBL650315 0.70 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HRH1HRH3
SCHEMBL4382489 0.69
SCHEMBL10550402 0.69 ADRB2 (0.38) SLC6A2SLC6A4SLC6A3HRH1HRH3

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
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
US-7846953-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA, NV (BE) 2010-12-07 US disclosed
US-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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 (3 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-20090111855-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-alpha MODULATORS ESR2, ESRRA, ESRRG SLC6A2 3862/4885SLC6A4 4008/4885SLC6A3 3237/4885
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R SLC6A2 4231/4885SLC6A4 4049/4885SLC6A3 3283/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R SLC6A2 4231/4885SLC6A4 4049/4885SLC6A3 3283/4885

“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.