SCHEMBL1808997

SCHEMBL1808997

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
HRH3 Q9Y5N1 2/20 0.54
MGLL Q99685 4/20 0.54
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.50
PLA2G1B P04054 1/20 0.49
POLB P06746 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL1811787 0.92 HRH3 (0.55) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL12188591 0.91 ADRB2 (0.55) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL1806630 0.89 HRH3 (0.64) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL1809862 0.87 MGLL (0.54) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL1809304 0.86 HRH3 (0.53) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL1807314 0.85 MGLL (0.58) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL1809057 0.85 MGLL (0.73) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL1808218 0.85 MGLL (0.66) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL1809368 0.84 EPHX2 (0.63) ADRB2KMT2AMEN1HRH3MGLL
SCHEMBL1811365 0.84 MGLL (0.65) ADRB2KMT2AMEN1HRH3MGLL

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 10 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 claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
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
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 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 ADRB2 199/4885KMT2A 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.