SCHEMBL650315

SCHEMBL650315

Clc1ccc(CCCC(CCOCCC(CCCc2ccc(Cl)cc2)c2c[nH]cn2)c2c[nH]cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
HRH1 P35367 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
CHRM4 P08173 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
GAA P10253 1/20 0.31
IGF1R P08069 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL8114781 0.87 CYP19A1 (0.39) SLC6A2SLC6A4SLC6A3KCNH2HTR7
SCHEMBL8115135 0.87 HMOX1 (0.32)
SCHEMBL8104990 0.87 HRH3 (0.36) HRH3SIGMAR1
SCHEMBL8107761 0.85 SLC6A4 (0.34) SLC6A2HRH1HRH3CHRM2ADRA2C
SCHEMBL4378571 0.84 FDFT1 (0.38) PPARGGAA
SCHEMBL8115697 0.84 DAO (0.31)
SCHEMBL8106289 0.83 FAAH (0.36) HRH3
SCHEMBL4381064 0.83 S1PR4 (0.36)
SCHEMBL8113194 0.76 TAAR1 (0.39) SLC6A2HRH1ADRA2CSLC6A4SLC6A3
SCHEMBL2240994 0.74 HRH3 (0.49) SLC6A2HRH1HRH3CHRM2ADRA2C

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 14 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
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO 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
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP disclosed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO 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 (4 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 SLC6A2 3836/4885HRH1 3274/4885HRH3 3494/4885
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG SLC6A2 3877/4885HRH1 2823/4885HRH3 3238/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG SLC6A2 3985/4885HRH1 3212/4885HRH3 3707/4885
US-20080286265-A1 SUBSTITUTED PHENOXY N-ALKYLATED THIAZOLIDINEDIONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG SLC6A2 3732/4885HRH1 3516/4885HRH3 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.