SCHEMBL4782402

SCHEMBL4782402

S=C1NCC(c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CHRM2 P08172 4/20 0.32
▸ CHRM4 P08173 4/20 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
SCHEMBL6817678 0.76 TSHR (0.42) TDP1ALDH1A1HTR2AMEN1KMT2A
SCHEMBL28053521 0.65 HTR2A (0.36) TDP1ALDH1A1HTR2AGRIN1GRIN2A
SCHEMBL11703346 0.65 NPY5R (0.39) TDP1ALDH1A1HTR2AMEN1KMT2A
SCHEMBL1637914 0.63 HTR2A (0.44) HTR2AOPRM1MAOAMAOBTAAR1
SCHEMBL1322736 0.63 CHRM2 (0.46) GRIN1GRIN2AOPRM1ADRA2BADRA2C
SCHEMBL9723553 0.61 OPRM1 (0.42) HTR2AGRIN1GRIN2AMEN1KMT2A
Phosphine SCHEMBL28252438 0.61 CHRM2 (0.44) GRIN1GRIN2AOPRM1ADRA2BADRA2C
SCHEMBL4258794 0.61 CFTR (0.45) ALDH1A1GRIN1GRIN2AMEN1KMT2A
SCHEMBL13923610 0.60 HTR2A (0.34) TDP1HTR2AMEN1KMT2ACYP1A2
SCHEMBL977558 0.60 HTR2A (0.47) HTR2AOPRM1ADRA2BADRA2C

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-7488818-B2 Method for producing 1,4-diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-02-10 — — US disclosed
US-7488818-B2 Method for producing 1,4-diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-02-10 — — US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 — — WO disclosed
EP-1756049-B1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2007-10-31 — — EP disclosed
US-20070149776-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 — — US disclosed
US-20070149776-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 — — 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 (1 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-20070149776-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES CYP46A1, CYP51A1, APOB TDP1 4058/4885ALDH1A1 235/4885HTR2A 2950/4885

“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.

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