SCHEMBL3299084

SCHEMBL3299084

COC(=O)c1ccc(C(c2ccc(Cl)cc2)N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
MDM2 Q00987 1/20 0.49
CDC25B P30305 2/20 0.49
CDC25A P30304 1/20 0.49
OPRD1 P41143 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TP53 P04637 1/20 0.45
PTPRC P08575 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN1 P18031 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4029880 0.83 ALOX15 (0.50) HTTALOX15MAPK1CDC25BCDC25A
SCHEMBL17916031 0.80 DRD3 (0.52) SMN1; SMN2ALDH1A1SLC6A4SLC6A3NPSR1
SCHEMBL4071092 0.76 MEN1 (0.46) MDM2ALDH1A1SLC6A4SLC6A3MEN1
SCHEMBL3296323 0.76 OPRD1 (0.52) SMN1; SMN2OPRD1ALDH1A1KDM4EKMT2A
SCHEMBL3296318 0.76 OPRD1 (0.52) SMN1; SMN2OPRD1ALDH1A1KDM4EKMT2A
SCHEMBL196916 0.74 CA1 (0.64) ALDH1A1NPSR1KDM4EMEN1KMT2A
SCHEMBL3297654 0.74 CA1 (0.57) MAPK1ALDH1A1NPSR1KDM4EMEN1
SCHEMBL3299095 0.72 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1NPSR1KDM4E
SCHEMBL3297640 0.72 ALDH1A1 (0.51) MAPK1ALDH1A1NPSR1KDM4EMEN1
SCHEMBL6011477 0.72 ALDH1A1 (0.51) SMN1; SMN2MAPK1ALDH1A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US disclosed
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
CN-1185213-C Azetidine derivatives, preparation thereof and pharmaceutical compositions AVENTIS PHARMA SA (FR) 2005-01-19 CN disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
CN-1423633-A Azetidine derivatives, process for their preparation and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2003-06-11 CN disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 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 (7 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C SMN1; SMN2 2491/4885HTT 1457/4885ALOX15 1891/4885
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 SMN1; SMN2 2065/4885HTT 2648/4885ALOX15 925/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 SMN1; SMN2 2065/4885HTT 2648/4885ALOX15 925/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A SMN1; SMN2 2735/4885HTT 1360/4885ALOX15 1548/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 SMN1; SMN2 706/4885HTT 133/4885ALOX15 1564/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 SMN1; SMN2 4391/4885HTT 926/4885ALOX15 2753/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 SMN1; SMN2 3616/4885HTT 2359/4885ALOX15 1502/4885

“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.