SCHEMBL6011675

SCHEMBL6011675

CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(C(C(N)=O)N3CCCC3)cc2)C1)c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
GPX4 P36969 4/20 0.33
CHEK2 O96017 1/20 0.33
SLC6A9 P48067 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP3A5 P20815 1/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 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
SCHEMBL6011676 1.00 ADRB2 (0.37) ADRB2NPSR1TP53OPRM1OPRD1
SCHEMBL6502063 1.00 ADRB2 (0.37) ADRB2NPSR1TP53OPRM1OPRD1
SCHEMBL6502066 1.00 ADRB2 (0.37) ADRB2NPSR1TP53OPRM1OPRD1
SCHEMBL674830 0.87 CYP2D6 (0.38) OPRM1OPRD1GPX4SLC6A9CYP3A4
SCHEMBL5081545 0.86 OPRD1 (0.39) TP53OPRM1OPRD1GPX4CHEK2
SCHEMBL5075660 0.86 OPRD1 (0.39) TP53OPRM1OPRD1GPX4CHEK2
SCHEMBL5082075 0.86 OPRD1 (0.39) TP53OPRM1OPRD1GPX4CHEK2
SCHEMBL6794152 0.84 TP53 (0.42) TP53OPRM1OPRD1GPX4SLC6A9
SCHEMBL6011595 0.84 TP53 (0.42) TP53OPRM1OPRD1GPX4SLC6A9
SCHEMBL6011592 0.84 TP53 (0.42) TP53OPRM1OPRD1GPX4SLC6A9

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
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US 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
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-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 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 (4 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 ADRB2 4/4885NPSR1 2535/4885TP53 3016/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A ADRB2 5/4885NPSR1 2508/4885TP53 3113/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 ADRB2 14/4885NPSR1 2555/4885TP53 2422/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 ADRB2 2/4885NPSR1 3748/4885TP53 3771/4885

“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.