SCHEMBL1808919

SCHEMBL1808919

COC(=O)c1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.59
▸ KMT2A Q03164 6/20 0.58
▸ HRH3 Q9Y5N1 2/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ ADRB2 P07550 2/20 0.56
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ POLB P06746 2/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL1806630 0.91 HRH3 (0.64) MGLLKMT2AHRH3MEN1ADRB2
SCHEMBL1809057 0.90 MGLL (0.73) MGLLKMT2AHRH3MEN1ADRB2
SCHEMBL1808245 0.88 RHOA (0.57) MGLLHRH3
SCHEMBL1807314 0.87 MGLL (0.58) MGLLKMT2AHRH3MEN1ADRB2
SCHEMBL1808218 0.87 MGLL (0.66) MGLLKMT2AHRH3MEN1ADRB2
SCHEMBL1809368 0.86 EPHX2 (0.63) MGLLKMT2AHRH3MEN1ADRB2
SCHEMBL1806803 0.86 HRH3 (0.51) MGLLKMT2AHRH3MEN1ADRB2
SCHEMBL1806962 0.86 MAPT (0.59) MGLLKMT2AHRH3MEN1ADRB2
SCHEMBL12188726 0.86 MGLL (0.67) MGLLKMT2AHRH3MEN1ADRB2
SCHEMBL1811365 0.86 MGLL (0.65) MGLLKMT2AHRH3MEN1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B MGLL 4513/4885KMT2A 1032/4885HRH3 1010/4885

“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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