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SCHEMBL975170

SCHEMBL975170

CS(=O)(=O)N(c1cccc(C(=O)O)c1F)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 4/20 0.38
▸ CACNA2D1 P54289 7/20 0.36
▸ CACNB1 Q02641 7/20 0.36
▸ CACNA1B Q00975 6/20 0.36
▸ CACNA1C Q13936 4/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CACNA1G O43497 1/20 0.34

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
SCHEMBL974850 0.89 POLB (0.38) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL977197 0.85 CTSS (0.36) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL977066 0.84 ENPP2 (0.34) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL977176 0.81 SLC6A9 (0.38) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL976065 0.81 SLC6A9 (0.38) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL977045 0.78 CACNA2D1 (0.41) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4711968 0.76 CYP3A4 (0.42) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL974203 0.76 SLC6A9 (0.38) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL2909512 0.76 CYP3A4 (0.40) HTR1ACYP3A4CYP3A5MEN1KMT2A
SCHEMBL2906687 0.75 CYP3A4 (0.44) CYP3A4CYP3A5CYP2D6GAAOPRD1

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 2158/4885CACNA2D1 2643/4885CACNB1 2792/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885CACNA2D1 2643/4885CACNB1 2792/4885

“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.