SCHEMBL979308

SCHEMBL979308

CS(=O)(=O)N(c1cccc(C(=O)NCC(=O)O)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.41
CACNA1B Q00975 3/20 0.41
CACNB1 Q02641 3/20 0.41
CACNA1C Q13936 2/20 0.41
SLC6A9 P48067 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
USP5 P45974 3/20 0.38
SLC6A5 Q9Y345 1/20 0.37
GPR139 Q6DWJ6 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
F2 P00734 2/20 0.37
CCR2 P41597 2/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL975805 0.92 CACNA2D1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL977202 0.91 CCR2 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL3408675 0.89 DRD2 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CDRD2
SCHEMBL975469 0.89 PTPRC (0.41) CACNA2D1CACNA1BCACNB1CACNA1CDRD2
Hydrochloric Acid SCHEMBL6519318 0.89 DRD2 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CDRD2
SCHEMBL3405538 0.89 CTSD (0.39) CACNA2D1CACNA1BCACNB1CACNA1CDRD2
SCHEMBL3408730 0.88 DDR1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CDRD2
SCHEMBL3406626 0.88 CTSD (0.39) CACNA2D1CACNA1BCACNB1CACNA1CDRD2
SCHEMBL3406225 0.88 SCN9A (0.41) DRD2DRD3KMT2AMEN1
SCHEMBL977615 0.87 ALOX5 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CDRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CACNA2D1 2643/4885CACNA1B 1231/4885CACNB1 2792/4885

“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.