SCHEMBL12633820

SCHEMBL12633820

COc1cc(CNC2Cc3ccccc3C2)ccc1Oc1ccc2nc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 12/20 0.47
DRD2 P14416 2/20 0.44
MMP12 P39900 1/20 0.44
QPCTL Q9NXS2 2/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL1879928 0.93 QPCT (0.41) QPCTDRD2
SCHEMBL12634128 0.90 MMP12 (0.39) QPCTDRD2MMP12QPCTL
SCHEMBL12633848 0.89 QPCT (0.44) QPCTDRD2MMP12QPCTL
SCHEMBL12634118 0.88 QPCT (0.39) QPCTDRD2MMP12QPCTL
SCHEMBL14548043 0.88 QPCT (0.44) QPCTDRD2MMP12QPCTL
SCHEMBL12634049 0.86 MMP12 (0.47) QPCTDRD2MMP12ABCB1
SCHEMBL12633830 0.86 QPCTL (0.43) QPCTDRD2MMP12QPCTL
Trifluoroacetic Acid SCHEMBL1877883 0.85 SLC2A1 (0.44) QPCTDRD2
SCHEMBL12634056 0.84 DRD2 (0.48) QPCTDRD2MMP12
SCHEMBL12634146 0.84 QPCT (0.48) QPCTMMP12QPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 QPCT 1336/4885DRD2 237/4885MMP12 2506/4885

“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.