SCHEMBL650316

SCHEMBL650316

Clc1ccc(CCCC(CCc2c[nH]cn2)OC(CCCc2ccc(Cl)cc2)CCc2c[nH]cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
HRH3 Q9Y5N1 3/20 0.33
SLC6A2 P23975 2/20 0.33
HRH1 P35367 2/20 0.33
SLC6A4 P31645 2/20 0.33
GAA P10253 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
HTR7 P34969 2/20 0.32
CHRM4 P08173 1/20 0.32
HTR2C P28335 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL8114784 0.86 CYP19A1 (0.41) HRH1SLC6A4GAAADRA2CHTR7
SCHEMBL8118972 0.86 HMOX1 (0.34) SIGMAR1TAAR1HTR2A
SCHEMBL8115974 0.86 SLC6A4 (0.36) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL8105600 0.86 CYP19A1 (0.36) PPARGPPARAHRH3SIGMAR1DRD4
SCHEMBL8115701 0.83 DAO (0.33)
SCHEMBL4381406 0.82 CYP19A1 (0.32) HRH1KCNH2TAAR1DRD4DRD3
SCHEMBL8116500 0.82 HRH3 (0.38) HRH3MAOB
SCHEMBL4381069 0.82 ACLY (0.35) MAOB
SCHEMBL224352 0.80 DAO (0.41) TAAR1MAOB
SCHEMBL4379250 0.80 HTT (0.39) HRH3IGF1RALOX15SIGMAR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 US disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
US-8344009-B2 Substituted phenoxy thiazolidinediones as estrogen related receptor-á modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-01 US disclosed
US-8119669-B2 Substituted phenoxy N-alkylated thiazolidinediones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US disclosed
US-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS JANSSEN PHARAMCEUTICA N.V. (BE) 2011-09-29 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 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-20110237625-A1 SUBSTITUTED PHENOXY THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-á MODULATORS ESR2, ESRRA, ESRRB PPARG 12/4885PPARA 34/4885HRH3 3494/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG PPARG 72/4885PPARA 250/4885HRH3 3707/4885
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG PPARG 9/4885PPARA 33/4885HRH3 3818/4885

“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.