SCHEMBL514449

SCHEMBL514449

CC(=NOc1ncnc(N2CCC(c3nc(C(C)C)no3)CC2)c1C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.44
▸ GPR119 Q8TDV5 13/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SCN9A Q15858 2/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ CCR5 P51681 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ SLC9A1 P19634 1/20 0.35

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
SCHEMBL513940 0.95 CNR2 (0.47) CNR2GPR119CYP3A4CYP2C19SCN9A
SCHEMBL515814 0.90 CNR2 (0.48) CNR2GPR119CYP3A4CYP2C19SCN9A
SCHEMBL514135 0.90 SCN9A (0.42) CNR2GPR119CYP3A4CYP2C19SCN9A
SCHEMBL514608 0.88 SCN9A (0.40) CNR2GPR119CYP3A4CYP2C19SCN9A
SCHEMBL514634 0.88 GPR119 (0.52) CNR2GPR119CYP3A4CYP2C19SCN9A
SCHEMBL514649 0.87 GPR119 (0.56) GPR119CYP3A4CYP2C19SCN9A
SCHEMBL514402 0.87 SCN9A (0.40) CNR2GPR119CYP3A4CYP2C19SCN9A
SCHEMBL514969 0.86 SCN9A (0.44) CNR2GPR119CYP3A4CYP2C19SCN9A
SCHEMBL513556 0.85 SCN9A (0.41) CNR2GPR119CYP3A4CYP2C19SCN9A
SCHEMBL14686300 0.85 OGA (0.42) CNR2GPR119CYP3A4CYP2C19SCN9A

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 CNR2 1831/4885GPR119 382/4885CYP3A4 13/4885

“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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