SCHEMBL12188706

SCHEMBL12188706

COc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.53
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ HRH3 Q9Y5N1 4/20 0.51
▸ PDE4B Q07343 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ATM Q13315 1/20 0.47

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
SCHEMBL1806591 0.90 KDM4E (0.60) MGLLKMT2AMEN1HRH3PDE4B
SCHEMBL1806122 0.88 PDE4B (0.54) MGLLKMT2AMEN1HRH3PDE4B
SCHEMBL1809388 0.86 KMT2A (0.58) MGLLKMT2AMEN1HRH3PDE4B
SCHEMBL1805898 0.86 HSD11B1 (0.60) MGLLKMT2AMEN1HRH3PDE4B
SCHEMBL1807918 0.86 MGLL (0.54) MGLLKMT2AMEN1HRH3PDE4B
SCHEMBL1808347 0.84 MGLL (0.53) MGLLKMT2AMEN1HRH3PDE4B
SCHEMBL1809057 0.84 MGLL (0.73) MGLLKMT2AMEN1HRH3
SCHEMBL1808791 0.83 MGLL (0.53) MGLLKMT2AMEN1HRH3PDE4B
SCHEMBL12188726 0.82 MGLL (0.67) MGLLKMT2AMEN1HRH3
SCHEMBL1806630 0.82 HRH3 (0.64) MGLLKMT2AMEN1HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B MGLL 4513/4885KMT2A 1032/4885MEN1 4046/4885

“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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