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SCHEMBL976065

SCHEMBL976065

CS(=O)(=O)N(c1cc(C(=O)O)ccc1F)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 4/20 0.38
▸ OPRD1 P41143 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CACNA2D1 P54289 2/20 0.34
▸ CACNA1B Q00975 2/20 0.34
▸ CACNB1 Q02641 2/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GPX4 P36969 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL977311 0.87 ALDH1A1 (0.38) SLC6A9OPRD1OPRM1MEN1KMT2A
SCHEMBL974203 0.83 SLC6A9 (0.38) SLC6A9OPRD1OPRM1CACNA2D1CACNA1B
SCHEMBL977045 0.82 CACNA2D1 (0.41) SLC6A9OPRD1CACNA2D1CACNA1BCACNB1
SCHEMBL974344 0.82 JAK2 (0.37) OPRD1OPRM1
SCHEMBL3655279 0.82 DRD2 (0.41) MEN1KMT2AKDM4EALDH1A1
SCHEMBL977176 0.82 SLC6A9 (0.38) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL975245 0.81 SLC6A9 (0.39) SLC6A9OPRD1OPRM1CACNA2D1CACNA1B
SCHEMBL975170 0.81 SLC6A9 (0.38) SLC6A9OPRD1CACNA2D1CACNA1BCACNB1
SCHEMBL977115 0.80 F2 (0.42) SLC6A9OPRD1OPRM1CACNA2D1CACNA1B
SCHEMBL977822 0.79 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 claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 — — US claimed
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-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 (2 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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885OPRD1 144/4885OPRM1 619/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885OPRD1 144/4885OPRM1 619/4885

“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.