SCHEMBL12633848

SCHEMBL12633848

Clc1cc(CNC2Cc3ccccc3C2)ccc1Oc1ccc2nc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 5/20 0.44
QPCTL Q9NXS2 4/20 0.38
MMP12 P39900 1/20 0.38
DRD2 P14416 1/20 0.37
NPY1R P25929 1/20 0.37
CASP6 P55212 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL14548043 0.89 QPCT (0.44) QPCTQPCTLMMP12DRD2
SCHEMBL12634118 0.89 QPCT (0.39) QPCTQPCTLMMP12DRD2
SCHEMBL12634128 0.89 MMP12 (0.39) QPCTQPCTLMMP12DRD2
SCHEMBL12633820 0.89 QPCT (0.47) QPCTQPCTLMMP12DRD2
SCHEMBL12633830 0.88 QPCTL (0.43) QPCTQPCTLMMP12DRD2POLB
SCHEMBL12634166 0.87 GRIN2B (0.39) QPCTQPCTLDRD2NPY1RCASP6
Trifluoroacetic Acid SCHEMBL1874615 0.85 SLC2A1 (0.38) QPCTNPY1RCASP6
Trifluoroacetic Acid SCHEMBL1875567 0.85 SLC2A1 (0.38) QPCTNPY1RCASP6
SCHEMBL12634091 0.84 CASP6 (0.42) QPCTQPCTLMMP12DRD2NPY1R
SCHEMBL12634101 0.83 QPCT (0.45) QPCTQPCTLMMP12

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 1336/4885QPCTL 3091/4885MMP12 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.