SCHEMBL977225

SCHEMBL977225

CC[C@H](NC(=O)c1cc(F)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 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.35
SCN9A Q15858 3/20 0.34
IDO1 P14902 7/20 0.33
KCNH2 Q12809 6/20 0.33
CYP2C9 P11712 3/20 0.33
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
SLC6A9 P48067 2/20 0.32
GRIA2 P42262 1/20 0.32
CYP3A4 P08684 1/20 0.32
BACE1 P56817 1/20 0.31
KCNA5 P22460 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL977298 0.94 SCN9A (0.33) CCR1SCN9AKAT6AKAT5KAT8
SCHEMBL977368 0.93 SCN9A (0.34) SCN9AKAT6AKAT5GRIA2BACE1
SCHEMBL977629 0.93 CCR1 (0.37) CCR1SLC6A9ITGB3ITGA2B
SCHEMBL976727 0.91 CCR1 (0.36) CCR1SCN9AKAT6AKAT5SLC6A9
SCHEMBL975653 0.91 CCR1 (0.36) CCR1SCN9ASLC6A9ITGB3ITGA2B
SCHEMBL974839 0.90 SCN9A (0.35) CCR1SCN9AKAT6AKAT5KAT8
SCHEMBL974741 0.90 SCN9A (0.35) CCR1SCN9AKAT6AKAT5KAT8
SCHEMBL976415 0.90 RHOC (0.36) CCR1
SCHEMBL975369 0.89 CCR1 (0.38) CCR1SCN9AKCNH2KAT6AKAT5
SCHEMBL975115 0.89 CCR1 (0.40) CCR1

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 1721/4885SCN9A 694/4885IDO1 432/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CCR1 1721/4885SCN9A 694/4885IDO1 432/4885

“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.