SCHEMBL977097

SCHEMBL977097

CC(C)(C)OC(=O)CCCNC(=O)c1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 2/20 0.35
DRD4 P21917 3/20 0.35
CACNA1G O43497 3/20 0.35
USP30 Q70CQ3 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL975469 0.91 PTPRC (0.41) DRD2DRD3KMT2AUSP30SMN1; SMN2
SCHEMBL977862 0.90 F2 (0.35) HSP90AA1DRD2DRD3KMT2ASMN1; SMN2
SCHEMBL3408730 0.86 DDR1 (0.36) DRD2DRD3KMT2ASMN1; SMN2NAMPT
SCHEMBL3406225 0.86 SCN9A (0.41) DRD2DRD3KMT2ADRD4SMN1; SMN2
SCHEMBL3408675 0.85 DRD2 (0.40) DRD2DRD3KMT2ASMN1; SMN2MEN1
SCHEMBL977615 0.85 ALOX5 (0.39) DRD2DRD3KMT2ACACNA1GSMN1; SMN2
Hydrochloric Acid SCHEMBL6519318 0.85 DRD2 (0.39) DRD2DRD3KMT2ADRD4SMN1; SMN2
SCHEMBL3661726 0.84 CCR2 (0.39) DRD2DRD3SMN1; SMN2
SCHEMBL2168143 0.83 USP30 (0.49) KMT2AUSP30MEN1
SCHEMBL975683 0.83 CTSD (0.37) KMT2AUSP30MEN1

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 HSP90AA1 3402/4885DRD2 19/4885DRD3 103/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B HSP90AA1 3402/4885DRD2 19/4885DRD3 103/4885

“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.