SCHEMBL3300931

SCHEMBL3300931

CN(C)Cc1ccc(C(c2ccc(Cl)cc2)N2CC(C(c3cc(F)cc(F)c3)S(C)(=O)=O)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.38
FFAR2 O15552 1/20 0.34
CCR5 P51681 5/20 0.33
BACE1 P56817 2/20 0.33
SLC6A9 P48067 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
KCNH2 Q12809 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGS2 P35354 1/20 0.31
TBXA2R P21731 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL8263917 0.89 CYP3A4 (0.37) SLC6A9CYP3A4CYP3A5KCNH2CYP2D6
SCHEMBL3296565 0.85 KDM4E (0.40) LSSCYP3A4KCNH2CYP2D6ALDH1A1
SCHEMBL3297088 0.85 KDM4E (0.40) LSSCYP3A4KCNH2CYP2D6ALDH1A1
SCHEMBL4027420 0.83 CYP3A4 (0.40) SLC6A9CYP3A4CYP3A5KCNH2CYP2D6
SCHEMBL3296784 0.82 CYP3A4 (0.41) SLC6A9CYP3A4CYP3A5ALDH1A1
SCHEMBL3295161 0.81 POLB (0.35)
SCHEMBL3294287 0.81 POLB (0.35)
SCHEMBL3297675 0.81 POLB (0.35)
SCHEMBL3350675 0.81 TBXA2R (0.35) CCR5KCNH2CYP2D6PTGS2TBXA2R
SCHEMBL3297723 0.81 WDR91 (0.42) KCNH2ALDH1A1

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-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 US disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP 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-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 US disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 US disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 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 (3 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 LSS 3535/4885FFAR2 380/4885CCR5 152/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 LSS 3535/4885FFAR2 380/4885CCR5 152/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 LSS 2988/4885FFAR2 3620/4885CCR5 3715/4885

“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.