SCHEMBL650314

SCHEMBL650314

CCC(c1ccc(Cl)cc1)C(CCOCCC(c1c[nH]cn1)C(CC)c1ccc(Cl)cc1)c1c[nH]cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.33
ESR2 Q92731 2/20 0.33
SLC6A2 P23975 5/20 0.32
SLC6A3 Q01959 5/20 0.32
SLC6A4 P31645 4/20 0.32
CHRM2 P08172 4/20 0.32
CHRM1 P11229 3/20 0.32
ADRA2B P18089 3/20 0.32
HRH1 P35367 3/20 0.32
KCNH2 Q12809 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
CYP2D6 P10635 3/20 0.32
CHRM5 P08912 2/20 0.32
HRH2 P25021 2/20 0.32
HTR2A P28223 2/20 0.32
CYP2C9 P11712 2/20 0.32
ADRA1A P35348 2/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 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
SCHEMBL8118969 0.87 ESR1 (0.33) ESR1ESR2SLC6A2SLC6A3SLC6A4
SCHEMBL8114777 0.87 ESR1 (0.33) ESR1ESR2SLC6A2SLC6A3CHRM2
SCHEMBL8115694 0.84 SHBG (0.37)
SCHEMBL4381403 0.83 ESR1 (0.34) ESR1ESR2MEN1KMT2A
SCHEMBL4381059 0.83 LMNA (0.33) LMNA
SCHEMBL4379244 0.81 CYP17A1 (0.35) ESR1ESR2HRH3LMNAALOX15
SCHEMBL1991386 0.81 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4CHRM2CHRM1
SCHEMBL8113192 0.76 PNMT (0.37) SLC6A2SLC6A4CYP2C9L3MBTL1CYP1A2
SCHEMBL8107761 0.72 SLC6A4 (0.34) SLC6A2SLC6A3SLC6A4CHRM2HRH1
SCHEMBL4376202 0.72 CYP1A2 (0.31) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4

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 ESR1 6/4885ESR2 1/4885SLC6A2 3836/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESR1 6/4885ESR2 1/4885SLC6A2 3985/4885
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG ESR1 7/4885ESR2 1/4885SLC6A2 3732/4885

“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.