SCHEMBL12633965

SCHEMBL12633965

CC(C)OCCNCc1ccc(Oc2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.46
▸ QPCT Q16769 9/20 0.43
▸ QPCTL Q9NXS2 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RY14 Q15391 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL12633984 0.95 MMP12 (0.43) MMP12QPCTQPCTLDRD2DRD4
SCHEMBL12633967 0.88 MMP12 (0.51) MMP12QPCTQPCTLDRD2DRD4
SCHEMBL12633953 0.87 HTT (0.49) MMP12QPCTQPCTLHTTP2RX3
SCHEMBL12633986 0.84 MMP12 (0.44) MMP12QPCTQPCTLHTTP2RX3
SCHEMBL12633971 0.84 MMP12 (0.49) MMP12QPCTQPCTLDRD2DRD4
SCHEMBL12633983 0.83 MMP12 (0.47) MMP12QPCTQPCTLP2RX3P2RY14
SCHEMBL12633978 0.82 QPCT (0.53) MMP12QPCTQPCTLHTTP2RX3
SCHEMBL12633979 0.82 QPCT (0.48) MMP12QPCTQPCTLP2RY14
SCHEMBL12634006 0.81 OPRM1 (0.54) QPCTQPCTLKMT2A
SCHEMBL12633973 0.80 QPCT (0.47) MMP12QPCTHTTP2RX3P2RY14

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 1336/4885QPCTL 3091/4885

“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.

Send feedback