SCHEMBL975643

SCHEMBL975643

CC(C)[C@H](NC(=O)c1cc(C#N)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.35
CCR1 P32246 5/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
S1PR3 Q99500 4/20 0.33
S1PR1 P21453 2/20 0.33
F2 P00734 2/20 0.32
NSD2 O96028 1/20 0.32
KCNH2 Q12809 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
SCHEMBL977232 0.92 CNR1 (0.34) CNR1CNR2S1PR3S1PR1F2
SCHEMBL976506 0.90 CCR1 (0.36) CCR1F2KCNH2
SCHEMBL976394 0.89 CA1 (0.35) CNR1CNR2S1PR3S1PR1F2
SCHEMBL974819 0.89 F2 (0.41) CCR1F2KCNH2
SCHEMBL976411 0.88 IDO1 (0.34) CCR1CNR1CNR2S1PR3S1PR1
SCHEMBL977664 0.88 SLC6A9 (0.35) CNR1CNR2S1PR3S1PR1F2
SCHEMBL978432 0.88 CCR1 (0.35) CCR1F2KCNH2
SCHEMBL975368 0.88 CCR1 (0.38) CCR1F2KCNH2
SCHEMBL974778 0.87 CNR1 (0.33) CNR1CNR2S1PR3S1PR1F2
SCHEMBL975157 0.87 CLPP (0.38) CCR1KCNH2

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 9 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
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP claimed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP 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 4029/4885CCR1 1721/4885CNR1 250/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B TRPA1 4029/4885CCR1 1721/4885CNR1 250/4885

“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.