SCHEMBL1809338

SCHEMBL1809338

COc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.73
HSD11B1 P28845 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HRH1 P35367 2/20 0.53
CCR3 P51677 2/20 0.53

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
SCHEMBL1808245 0.87 RHOA (0.57) MGLLHRH1CCR3
SCHEMBL1805983 0.87 MGLL (0.67) MGLLHSD11B1MEN1KMT2AHRH1
SCHEMBL1805362 0.87 HRH1 (0.57) MGLLALDH1A1MEN1KMT2AHRH1
SCHEMBL1809057 0.87 MGLL (0.73) MGLLHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL12188732 0.86 MGLL (0.69) MGLLALDH1A1MEN1KMT2AHRH1
SCHEMBL1808762 0.86 HRH1 (0.70) MGLLMEN1KMT2AHRH1CCR3
SCHEMBL1806882 0.86 MGLL (0.67) MGLLMEN1KMT2AHRH1CCR3
SCHEMBL2219230 0.86 MGLL (0.57) MGLLHSD11B1L3MBTL1ALDH1A1MEN1
SCHEMBL2219227 0.86 MGLL (0.57) MGLLHSD11B1L3MBTL1ALDH1A1MEN1
SCHEMBL1806552 0.85 MGLL (0.75) MGLLHSD11B1MEN1KMT2AHRH1

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 MGLL 4513/4885HSD11B1 2985/4885L3MBTL1 3351/4885

“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.