SCHEMBL4244761

SCHEMBL4244761

COC(=O)[C@]1(C)OC[C@H](c2ccc(OCc3ccccc3F)cc2)CO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
KCNH2 Q12809 6/20 0.50
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
SCN3A Q9NY46 7/20 0.47
SCN9A Q15858 2/20 0.47
SCN1A P35498 1/20 0.47
SCN4A P35499 1/20 0.47
SCN7A Q01118 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 2/20 0.46
PARP14 Q460N5 1/20 0.46
MMP1 P03956 3/20 0.42

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
SCHEMBL4245899 1.00 MAOB (0.52) MAOBKCNH2OPRM1OPRD1SCN3A
SCHEMBL4250695 0.89 MAOB (0.54) MAOBKCNH2OPRM1OPRD1SCN3A
SCHEMBL4248017 0.89 MAOB (0.54) MAOBKCNH2OPRM1OPRD1SCN3A
SCHEMBL4248020 0.89 MAOB (0.54) MAOBKCNH2OPRM1OPRD1SCN3A
SCHEMBL4243319 0.86 MAOB (0.51) MAOBKCNH2OPRM1OPRD1SCN3A
SCHEMBL4247255 0.86 MAOB (0.51) MAOBKCNH2OPRM1OPRD1SCN3A
SCHEMBL4247217 0.84 ADAM17 (0.49) MAOBOPRM1OPRD1CYP1A2ADAM17
SCHEMBL4250294 0.84 ADAM17 (0.49) MAOBOPRM1OPRD1CYP1A2ADAM17
SCHEMBL4246234 0.80 PTPN1 (0.52) MAOBPARP15PARP10
SCHEMBL4251004 0.79 RAB9A (0.44) CYP1A2CYP2C19

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-20090012069-A1 Novel Antidiabetic Compounds CADILA HEALTHCARE LIMITED (IN) 2009-01-08 US claimed
US-20090012069-A1 Novel Antidiabetic Compounds CADILA HEALTHCARE LIMITED (IN) 2009-01-08 US disclosed
EP-1781633-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2007-05-09 EP disclosed
WO-2006018855-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2006-02-23 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-20090012069-A1 Novel Antidiabetic Compounds GPR119, SLC5A1, SLC5A2 MAOB 1459/4885KCNH2 2812/4885OPRM1 2075/4885

“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.