SCHEMBL977665

SCHEMBL977665

C[C@H](NC(=O)c1cc(C#N)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
SLC6A9 P48067 4/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
S1PR3 Q99500 5/20 0.33
S1PR1 P21453 2/20 0.33
IDO1 P14902 3/20 0.33
KCNH2 Q12809 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
CCKBR P32239 1/20 0.32
SCN9A Q15858 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
S1PR2 O95136 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
SCHEMBL977666 1.00 CNR1 (0.35) CNR1CNR2SLC6A9CA1CA2
SCHEMBL977233 0.93 CNR1 (0.35) CNR1CNR2SLC6A9S1PR3S1PR1
SCHEMBL974779 0.93 CNR1 (0.35) CNR1CNR2SLC6A9S1PR3S1PR1
SCHEMBL976400 0.90 CCKBR (0.38) CNR1SLC6A9CA1CA2CCKBR
SCHEMBL976402 0.90 CCKBR (0.38) CNR1SLC6A9CA1CA2CCKBR
SCHEMBL975573 0.88 SLC6A9 (0.37) CNR1SLC6A9CA1CA2S1PR1
SCHEMBL975574 0.88 SLC6A9 (0.37) CNR1SLC6A9CA1CA2S1PR1
SCHEMBL975645 0.88 TRPA1 (0.35) CNR1CNR2S1PR3S1PR1IDO1
SCHEMBL975564 0.88 WDR5 (0.39) CNR1SLC6A9CYP2C9CYP2D6SLC6A5
SCHEMBL977155 0.88 SLC6A9 (0.38) SLC6A9CA1CA2CCKBRSCN9A

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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US 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 CNR1 250/4885CNR2 570/4885SLC6A9 2158/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CNR1 250/4885CNR2 570/4885SLC6A9 2158/4885

“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.