SCHEMBL1810944

SCHEMBL1810944

CC(C)Oc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ HRH3 Q9Y5N1 6/20 0.57
▸ MGLL Q99685 2/20 0.55
▸ ADRB2 P07550 2/20 0.52
▸ MAPT P10636 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ LMNA P02545 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
SCHEMBL1806630 0.90 HRH3 (0.64) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL1808218 0.86 MGLL (0.66) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL1809057 0.86 MGLL (0.73) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL1807314 0.86 MGLL (0.58) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL1811365 0.85 MGLL (0.65) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL12188726 0.85 MGLL (0.67) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL1806962 0.85 MAPT (0.59) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL1808919 0.84 MGLL (0.59) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL1805653 0.84 PARP10 (0.58) KMT2AMEN1HRH3MGLLADRB2
SCHEMBL1807899 0.84 ADRB2 (0.67) KMT2AHRH3MGLLADRB2MAPT

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 KMT2A 1032/4885MEN1 4046/4885HRH3 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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