SCHEMBL13923610

SCHEMBL13923610

S=C1NCC(c2ccccc2)(c2ccccc2)S1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.34
▸ OPRM1 P35372 4/20 0.33
▸ OPRL1 P41146 3/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ NAT1 P18440 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13923609 0.76 MEN1 (0.37) HTR2AOPRM1OPRL1CA2MEN1
SCHEMBL15657806 0.63 OPRM1 (0.39) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL11703346 0.61 NPY5R (0.39) HTR2AOPRM1MEN1CYP1A2POLB
SCHEMBL7102637 0.60 KMT2A (0.47) HTR2ACA2NAT1EPHX1MEN1
SCHEMBL4782402 0.60 TDP1 (0.35) HTR2AOPRM1MEN1CYP1A2POLB
SCHEMBL10565247 0.60 — —
SCHEMBL11596104 0.59 GSK3A (0.36) OPRM1OPRL1OPRK1CA2NAT1
SCHEMBL25366882 0.59 MAPT (0.36) HTR2AOPRM1OPRL1OPRK1MEN1
SCHEMBL1637914 0.58 HTR2A (0.44) HTR2AOPRM1OPRL1OPRK1
SCHEMBL1668502 0.58 OPRM1 (0.48) HTR2AOPRM1OPRL1OPRK1POLB

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 5 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
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 HTR2A 2950/4885OPRM1 4661/4885OPRL1 4631/4885

“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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