SCHEMBL12633971

SCHEMBL12633971

COCCCNCc1ccc(Oc2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.49
▸ QPCT Q16769 7/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.41
▸ P2RX3 P56373 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ QPCTL Q9NXS2 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL12633967 0.93 MMP12 (0.51) MMP12QPCTPOLBNPC1RAB9A
SCHEMBL12633984 0.88 MMP12 (0.43) MMP12QPCTSCN8AP2RX3POLB
SCHEMBL12633965 0.84 MMP12 (0.46) MMP12QPCTP2RX3POLBNPC1
SCHEMBL12633953 0.83 HTT (0.49) MMP12QPCTP2RX3POLBQPCTL
SCHEMBL12633983 0.83 MMP12 (0.47) MMP12QPCTP2RX3POLBQPCTL
SCHEMBL12634007 0.82 LTA4H (0.50) MMP12QPCTP2RX3CHRM2
SCHEMBL12633978 0.82 QPCT (0.53) MMP12QPCTP2RX3POLBQPCTL
SCHEMBL12633979 0.82 QPCT (0.48) MMP12QPCTQPCTL
SCHEMBL12634006 0.81 OPRM1 (0.54) QPCTKMT2AQPCTL
SCHEMBL12633973 0.80 QPCT (0.47) MMP12QPCTP2RX3POLBNPC1

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 MMP12 2506/4885QPCT 1336/4885HDAC6 859/4885

“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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