SCHEMBL514632

SCHEMBL514632

CC(C)c1noc(C2CCN(c3ncnc(ON=C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 17/20 0.55
▸ SCN9A Q15858 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL514298 0.93 GPR119 (0.54) GPR119SCN9ACNR2CYP3A4CYP2C19
SCHEMBL514127 0.92 GPR119 (0.54) GPR119SCN9ACNR2CYP3A4CYP2C19
SCHEMBL514634 0.89 GPR119 (0.52) GPR119SCN9ACNR2CYP3A4CYP2C19
SCHEMBL514577 0.88 GPR119 (0.52) GPR119SCN9ACNR2CYP3A4CYP2C19
SCHEMBL515365 0.87 GPR119 (0.52) GPR119SCN9ACNR2CYP3A4CYP2C19
SCHEMBL514892 0.86 GPR119 (0.51) GPR119SCN9ACNR2CYP3A4CYP2C19
SCHEMBL513996 0.86 GPR119 (0.54) GPR119SCN9ACNR2CYP3A4CYP2C19
SCHEMBL514968 0.85 GPR119 (0.53) GPR119SCN9ACNR2CYP3A4CYP2C19
SCHEMBL514719 0.85 GPR119 (0.52) GPR119SCN9ACYP3A4CYP2C19
SCHEMBL514638 0.84 GPR119 (0.65) GPR119CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742117-B2 Oxime derivatives CADILA HEALTHCARE LIMITED (IN) 2014-06-03 — — US claimed
EP-2379542-B1 NOVEL OXIME DERIVATIVES CADILA HEALTHCARE LTD (IN) 2013-02-13 — — EP claimed
US-20120028996-A1 NOVEL OXIME DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2012-02-02 — — US claimed
EP-2379542-A1 NOVEL OXIME DERIVATIVES Cadila Healthcare Limited (IN) 2011-10-26 — — EP claimed
WO-2010084512-A1 NOVEL OXIME DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2010-07-29 — — WO claimed
US-8742117-B2 Oxime derivatives CADILA HEALTHCARE LIMITED (IN) 2014-06-03 — — US disclosed
EP-2379542-B1 NOVEL OXIME DERIVATIVES CADILA HEALTHCARE LTD (IN) 2013-02-13 — — EP disclosed
US-20120028996-A1 NOVEL OXIME DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2012-02-02 — — US disclosed
EP-2379542-A1 NOVEL OXIME DERIVATIVES Cadila Healthcare Limited (IN) 2011-10-26 — — EP disclosed
WO-2010084512-A1 NOVEL OXIME DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2010-07-29 — — 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-20120028996-A1 NOVEL OXIME DERIVATIVES CYP11B2, CYP11B1, PYGL GPR119 382/4885SCN9A 2182/4885CNR2 1831/4885

“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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