SCHEMBL976727

SCHEMBL976727

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.36
SLC6A9 P48067 1/20 0.32
BACE1 P56817 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
UTS2R Q9UKP6 2/20 0.31
HTT P42858 1/20 0.31
EPHX2 P34913 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
SCN9A Q15858 1/20 0.31
CNR1 P21554 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
OPRM1 P35372 1/20 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
SCHEMBL977820 0.94 CA1 (0.35) CCR1SLC6A9ITGB3ITGA2BUTS2R
SCHEMBL977629 0.93 CCR1 (0.37) CCR1SLC6A9ITGB3ITGA2BHTT
SCHEMBL975653 0.92 CCR1 (0.36) CCR1SLC6A9ITGB3ITGA2BHTT
SCHEMBL977225 0.91 CCR1 (0.35) CCR1SLC6A9BACE1ITGB3ITGA2B
SCHEMBL977625 0.90 EPHX2 (0.34) SLC6A9BACE1ITGB3ITGA2BUTS2R
SCHEMBL975115 0.89 CCR1 (0.40) CCR1UTS2RCTSLCTSSCTSK
SCHEMBL976413 0.89 IDO1 (0.35) CCR1SLC6A9SCN9ACNR1OPRM1
SCHEMBL976415 0.89 RHOC (0.36) CCR1UTS2RCA12CA1CA9
SCHEMBL974820 0.89 CCR1 (0.36) CCR1SLC6A9EPHX2
SCHEMBL977368 0.87 SCN9A (0.34) BACE1KAT6AKAT5SCN9ACA1

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 CCR1 1721/4885SLC6A9 2158/4885BACE1 2925/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CCR1 1721/4885SLC6A9 2158/4885BACE1 2925/4885

“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.