SCHEMBL975645

SCHEMBL975645

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
CCR1 P32246 4/20 0.33
NSD2 O96028 1/20 0.33
S1PR3 Q99500 3/20 0.32
S1PR1 P21453 2/20 0.32
KCNH2 Q12809 2/20 0.32
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 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
SCHEMBL977233 0.92 CNR1 (0.35) CNR1CNR2NSD2S1PR3S1PR1
SCHEMBL976507 0.90 CCR1 (0.36) CCR1KCNH2PDE3BPDE3A
SCHEMBL976413 0.89 IDO1 (0.35) CNR1CNR2CCR1NSD2S1PR3
SCHEMBL976396 0.89 NSD2 (0.34) CNR1CNR2NSD2S1PR3S1PR1
SCHEMBL974820 0.89 CCR1 (0.36) CCR1KCNH2PDE3BPDE3A
SCHEMBL977666 0.88 CNR1 (0.35) CNR1CNR2S1PR3S1PR1KCNH2
SCHEMBL977665 0.88 CNR1 (0.35) CNR1CNR2S1PR3S1PR1KCNH2
SCHEMBL978434 0.88 CCR1 (0.34) CCR1KCNH2HTTPDE3BPDE3A
SCHEMBL975369 0.88 CCR1 (0.38) CNR1CCR1KCNH2PDE3BPDE3A
SCHEMBL974779 0.88 CNR1 (0.35) CNR1CNR2S1PR3S1PR1KCNH2

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 TRPA1 4029/4885CNR1 250/4885CNR2 570/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B TRPA1 4029/4885CNR1 250/4885CNR2 570/4885

“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.