SCHEMBL3335734

SCHEMBL3335734

CC(Cl)[CH]c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
CHAT P28329 1/20 0.46
RELA Q04206 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 1/20 0.44
FBP1 P09467 2/20 0.42
PNMT P11086 1/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL18243444 0.85 CHRM5 (0.52) CHRM5CHATRELACYP1A2CYP2C9
SCHEMBL23457219 0.77 CHRM5 (0.52) CHRM5CHATRELACYP1A2CYP2C9
SCHEMBL3336700 0.75 HTR2A (0.39) CHATRELAMAOB
SCHEMBL24434767 0.73 RELA (0.56) CHRM5CHATRELACYP1A2CYP2C9
SCHEMBL9967761 0.73 RELA (0.56) CHRM5CHATRELACYP1A2CYP2C9
SCHEMBL8319052 0.73 PNMT (0.49) CHRM5PNMTGRIN1GRIN2BMEN1
SCHEMBL575075 0.73
SCHEMBL14198038 0.72 FBP1 (0.53) CHRM5CHATRELACYP1A2CYP2C9
SCHEMBL1613845 0.72 CHRM5 (0.69) CHRM5CHATRELACYP1A2CYP2C9
SCHEMBL699364 0.72 CHAT (0.67) CHRM5CHATRELACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 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 (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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD CHRM5 1306/4885CHAT 3660/4885RELA 1998/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CHRM5 1306/4885CHAT 3660/4885RELA 1998/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CHRM5 1306/4885CHAT 3660/4885RELA 1998/4885

“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.