SCHEMBL975369

SCHEMBL975369

CC(C)[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 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.38
SCN9A Q15858 1/20 0.34
GRIA2 P42262 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
SLC6A9 P48067 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
CNR1 P21554 1/20 0.32
KAT6A Q92794 2/20 0.32
KAT5 Q92993 2/20 0.32
KAT8 Q9H7Z6 2/20 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
SCHEMBL976507 0.93 CCR1 (0.36) CCR1SLC6A9KCNH2PDE3BPDE3A
SCHEMBL974741 0.92 SCN9A (0.35) CCR1SCN9AGRIA2SLC6A9KAT6A
SCHEMBL974839 0.92 SCN9A (0.35) CCR1SCN9AGRIA2SLC6A9KAT6A
SCHEMBL974820 0.91 CCR1 (0.36) CCR1SLC6A9KCNH2PDE3BPDE3A
SCHEMBL978434 0.90 CCR1 (0.34) CCR1SLC6A9KCNH2PDE3BPDE3A
SCHEMBL975158 0.90 CLPP (0.39) CCR1
SCHEMBL977225 0.89 CCR1 (0.35) CCR1SCN9AGRIA2SLC6A9KCNH2
SCHEMBL977298 0.89 SCN9A (0.33) CCR1SCN9AGRIA2SLC6A9CNR1
SCHEMBL975645 0.88 TRPA1 (0.35) CCR1KCNH2PDE3BPDE3ACNR1
SCHEMBL977439 0.88 SCN9A (0.36) SCN9AGRIA2SLC6A9KAT6AKAT5

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 694/4885GRIA2 1299/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CCR1 1721/4885SCN9A 694/4885GRIA2 1299/4885

“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.