SCHEMBL12633830

SCHEMBL12633830

c1ccc2c(c1)CC(NCc1ccc(Oc3ccc4nc[nH]c4c3)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 1/20 0.43
GRIN2B Q13224 2/20 0.42
MMP12 P39900 1/20 0.42
QPCT Q16769 4/20 0.41
FYN P06241 1/20 0.40
DRD2 P14416 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RY14 Q15391 1/20 0.38
POLB P06746 1/20 0.37

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
Hydrochloric Acid SCHEMBL1876986 0.90 GRIN2B (0.41) QPCTLGRIN2BQPCTFYNDRD2
SCHEMBL12634078 0.89 DRD4 (0.42) QPCTLMMP12QPCTFYNP2RX3
SCHEMBL14548043 0.89 QPCT (0.44) QPCTLMMP12QPCTFYNDRD2
SCHEMBL12634052 0.89 MMP12 (0.52) QPCTLMMP12QPCTDRD2POLB
SCHEMBL12634084 0.89 QPCT (0.41) QPCTLMMP12QPCTP2RX3P2RY14
SCHEMBL12634086 0.89 QPCT (0.41) QPCTLMMP12QPCTP2RX3P2RY14
SCHEMBL12633848 0.88 QPCT (0.44) QPCTLMMP12QPCTDRD2POLB
SCHEMBL12634049 0.87 MMP12 (0.47) MMP12QPCTDRD2POLB
SCHEMBL12634056 0.87 DRD2 (0.48) MMP12QPCTDRD2
SCHEMBL12634128 0.87 MMP12 (0.39) QPCTLMMP12QPCTDRD2

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 QPCTL 3091/4885GRIN2B 288/4885MMP12 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.