SCHEMBL6817678

SCHEMBL6817678

O=C1NCC(c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CFTR P13569 1/20 0.36
▸ GOPC Q9HD26 1/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ HTR2A P28223 2/20 0.34

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
SCHEMBL1268222 0.77 PTGER3 (0.47) TSHRLMNACHRM2ADRA2ACYP2D6
SCHEMBL4782402 0.76 TDP1 (0.35) TSHRCHRM2ADRA2AKMT2AMEN1
SCHEMBL28053521 0.73 HTR2A (0.36) TSHRCHRM2KMT2AMAPTMEN1
SCHEMBL5321250 0.73 TSHR (0.38) TSHRLMNACHRM2ADRA2ACYP2D6
SCHEMBL1520522 0.73 ALDH1A1 (0.49) LMNACHRM2KMT2AMAPTMEN1
SCHEMBL4258794 0.70 CFTR (0.45) CHRM2KMT2AMEN1CFTRGOPC
SCHEMBL955441 0.67 HSD11B1 (0.49) TSHRLMNACHRM2ADRA2ACYP2D6
SCHEMBL9721330 0.65 MEN1 (0.45) CHRM2KMT2AMEN1CFTRGOPC
SCHEMBL1325148 0.65 CFTR (0.37) CHRM2KMT2AMEN1CYP1A2CFTR
SCHEMBL27713980 0.65 MEN1 (0.41) LMNACHRM2KMT2AMEN1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018032356-A1 PROCESS FOR PREPARATION OF LACTONE DERIVATIVES AND INTERMEDIATES THEREOF PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2018-02-22 — — WO disclosed
US-9624183-B2 Process for the preparation of a fluorolacton derivative GILEAD PHARMASSET LLC (US) 2017-04-18 — — US disclosed
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
WO-2004009574-A1 SYNTHESIS OF DISCODERMOLIDE NOVARTIS AG (CH) 2004-01-29 — — 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 (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 TSHR 4597/4885LMNA 760/4885CHRM2 4763/4885

“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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