SCHEMBL976413

SCHEMBL976413

CC[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 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.35
KCNH2 Q12809 5/20 0.35
CCR1 P32246 3/20 0.34
CYP2C9 P11712 1/20 0.34
NSD2 O96028 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
S1PR3 Q99500 4/20 0.32
S1PR1 P21453 2/20 0.32
MCHR1 Q99705 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN9A Q15858 1/20 0.31
S1PR2 O95136 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL976396 0.94 NSD2 (0.34) IDO1KCNH2CYP2C9NSD2CNR1
SCHEMBL977233 0.91 CNR1 (0.35) IDO1KCNH2CYP2C9NSD2CNR1
SCHEMBL977629 0.90 CCR1 (0.37) CCR1CNR1OPRM1OPRD1SLC6A9
SCHEMBL975645 0.89 TRPA1 (0.35) IDO1KCNH2CCR1NSD2CNR1
SCHEMBL976727 0.89 CCR1 (0.36) CCR1CNR1OPRM1OPRD1SCN9A
SCHEMBL975653 0.89 CCR1 (0.36) CCR1CNR1CNR2OPRM1OPRD1
SCHEMBL977225 0.88 CCR1 (0.35) IDO1KCNH2CCR1CYP2C9SCN9A
SCHEMBL977665 0.87 CNR1 (0.35) IDO1KCNH2CYP2C9CNR1CNR2
SCHEMBL977666 0.87 CNR1 (0.35) IDO1KCNH2CYP2C9CNR1CNR2
SCHEMBL975115 0.86 CCR1 (0.40) CCR1CNR2ALDH1A1

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 IDO1 432/4885KCNH2 124/4885CCR1 1721/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B IDO1 432/4885KCNH2 124/4885CCR1 1721/4885

“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.