SCHEMBL6011573

SCHEMBL6011573

CS(=O)(=O)C(c1cc(F)ccc1F)C1(O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.42
CYP2D6 P10635 9/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 6/20 0.40
OPRD1 P41143 6/20 0.40
OPRK1 P41145 6/20 0.40
OPRL1 P41146 6/20 0.40
USP2 O75604 5/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 5/20 0.37
TSHR P16473 4/20 0.37
CYP2C19 P33261 4/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 3/20 0.36
HIF1A Q16665 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 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
SCHEMBL6011458 0.88 OPRM1 (0.46) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011587 0.85 OPRM1 (0.48) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011753 0.84 OPRM1 (0.47) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL3295056 0.83 CYP3A4 (0.45) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011548 0.83 CYP3A4 (0.43) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011802 0.82 CYP3A4 (0.42) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL3298008 0.81 CYP3A4 (0.52) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011662 0.81 OPRM1 (0.46) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011642 0.80 OPRM1 (0.49) CYP3A4CYP2D6ALOX15OPRM1OPRD1
SCHEMBL6011672 0.80 OPRM1 (0.47) CYP3A4CYP2D6ALOX15OPRM1OPRD1

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 CYP3A4 68/4885CYP2D6 36/4885ALOX15 1891/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A CYP3A4 71/4885CYP2D6 38/4885ALOX15 1548/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 CYP3A4 15/4885CYP2D6 17/4885ALOX15 2753/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 CYP3A4 40/4885CYP2D6 64/4885ALOX15 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.