SCHEMBL513545

SCHEMBL513545

CC(=NOc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ GPR119 Q8TDV5 13/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KIT P10721 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL14686300 1.00 OGA (0.42) OGASCN9ACNR2GPR119CYP3A4
SCHEMBL514847 0.88 GPR119 (0.50) OGASCN9ACNR2GPR119CYP3A4
SCHEMBL515814 0.88 CNR2 (0.48) SCN9ACNR2GPR119CYP3A4CYP2C19
SCHEMBL514135 0.86 SCN9A (0.42) SCN9ACNR2GPR119CYP3A4CYP2C19
SCHEMBL513940 0.86 CNR2 (0.47) SCN9ACNR2GPR119CYP3A4CYP2C19
SCHEMBL513556 0.86 SCN9A (0.41) SCN9ACNR2GPR119CYP3A4CYP2C19
SCHEMBL514449 0.85 CNR2 (0.44) SCN9ACNR2GPR119CYP3A4CYP2C19
SCHEMBL514608 0.84 SCN9A (0.40) SCN9ACNR2GPR119CYP3A4CYP2C19
SCHEMBL514649 0.84 GPR119 (0.56) SCN9AGPR119CYP3A4CYP2C19
SCHEMBL514402 0.83 SCN9A (0.40) SCN9ACNR2GPR119CYP3A4CYP2C19

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-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
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

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 OGA 274/4885SCN9A 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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