SCHEMBL6011561

SCHEMBL6011561

COc1cccc(C(C2(O)CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.44
OPRM1 P35372 8/20 0.44
OPRK1 P41145 6/20 0.44
OPRL1 P41146 6/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MGLL Q99685 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 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
SCHEMBL6011618 0.91 OPRM1 (0.53) OPRD1OPRM1OPRK1OPRL1CYP3A4
SCHEMBL3296391 0.88 OPRM1 (0.43) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL5078918 0.85 OPRD1 (0.40) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL6011541 0.84 OPRM1 (0.49) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL6011569 0.82 CNR1 (0.43) MGLL
SCHEMBL6011523 0.82 OPRM1 (0.53) OPRD1OPRM1OPRK1OPRL1CYP3A4
SCHEMBL6011654 0.82 OPRM1 (0.52) OPRD1OPRM1OPRK1OPRL1MEN1
SCHEMBL6011466 0.82 CYP3A4 (0.38) OPRD1OPRM1OPRK1OPRL1CYP3A4
SCHEMBL6011639 0.80 CYP3A4 (0.35) OPRD1OPRM1OPRK1OPRL1CYP3A4
SCHEMBL7413323 0.79 HTR6 (0.44) OPRD1OPRM1OPRK1OPRL1CYP3A4

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 9 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
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP 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
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO 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 OPRD1 13/4885OPRM1 61/4885OPRK1 79/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A OPRD1 18/4885OPRM1 102/4885OPRK1 105/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 OPRD1 26/4885OPRM1 55/4885OPRK1 32/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 OPRD1 13/4885OPRM1 166/4885OPRK1 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.