SCHEMBL974203

SCHEMBL974203

CS(=O)(=O)N(c1cc(F)cc(C(=O)O)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.38
CACNA2D1 P54289 2/20 0.36
CACNA1B Q00975 2/20 0.36
CACNB1 Q02641 2/20 0.36
CACNA1C Q13936 1/20 0.36
TBXA2R P21731 3/20 0.35
GPX4 P36969 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRM1 P35372 1/20 0.34
CCR5 P51681 2/20 0.33
F2 P00734 2/20 0.33
PTGDR Q13258 2/20 0.33

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
SCHEMBL977229 0.93 OPRD1 (0.35) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL978279 0.91 OPRD1 (0.34) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL975245 0.91 SLC6A9 (0.39) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977213 0.90 OPRD1 (0.33) SLC6A9TBXA2ROPRD1CCR5PTGDR
Drinabant SCHEMBL684143 0.90 CYP3A4 (0.36) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977021 0.89 SLC6A9 (0.36) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL975366 0.89 KCNH2 (0.36) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977115 0.89 F2 (0.42) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977372 0.88 OPRD1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1COPRD1
SCHEMBL977822 0.88 MEN1 (0.37) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C

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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US disclosed
US-20110183961-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-07-28 US disclosed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20110053908-A1 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-03-03 US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 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 (5 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-20110053908-A1 AZETIDINE-DERIVED COMPOUNDS, PREPARATION METHOD THEREFOR AND THERAPEUTIC USE OF SAME QDPR, NHERF1, GABRR1 SLC6A9 379/4885CACNA2D1 1878/4885CACNA1B 753/4885
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885CACNA2D1 2643/4885CACNA1B 1231/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885CACNA2D1 2643/4885CACNA1B 1231/4885
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S SLC6A9 100/4885CACNA2D1 3134/4885CACNA1B 760/4885
US-20110183961-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, C1S, TACR1 SLC6A9 334/4885CACNA2D1 3388/4885CACNA1B 996/4885

“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.