SCHEMBL12633986

SCHEMBL12633986

CC(C)N(CCNCc1ccc(Oc2ccc3nc[nH]c3c2)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.44
▸ QPCT Q16769 10/20 0.42
▸ QPCTL Q9NXS2 1/20 0.38
▸ P2RX3 P56373 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ P2RY14 Q15391 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
SCHEMBL12633953 0.85 HTT (0.49) MMP12QPCTQPCTLP2RX3HTT
SCHEMBL12633965 0.84 MMP12 (0.46) MMP12QPCTQPCTLP2RX3HTT
Trifluoroacetic Acid SCHEMBL1880621 0.83 CACNA1B (0.39) —
SCHEMBL12633967 0.82 MMP12 (0.51) MMP12QPCTQPCTLPOLB
SCHEMBL12633984 0.82 MMP12 (0.43) MMP12QPCTQPCTLP2RX3HTT
SCHEMBL12633983 0.81 MMP12 (0.47) MMP12QPCTQPCTLP2RX3P2RY14
SCHEMBL12633978 0.80 QPCT (0.53) MMP12QPCTQPCTLP2RX3HTT
SCHEMBL12633971 0.80 MMP12 (0.49) MMP12QPCTQPCTLP2RX3POLB
SCHEMBL12633979 0.80 QPCT (0.48) MMP12QPCTQPCTLP2RY14
SCHEMBL12634006 0.79 OPRM1 (0.54) QPCTQPCTL

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 4 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

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.

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