SCHEMBL1805565

SCHEMBL1805565

CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 7/20 0.55
ADRB2 P07550 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
LMNA P02545 1/20 0.47
HSD11B1 P28845 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL1810282 0.89 ALDH1A1 (0.51) PRKAA2ADRB2ALDH1A1HTTHRH3
SCHEMBL1809075 0.83 HRH3 (0.59) PRKAA2ADRB2ALDH1A1HTTHRH3
SCHEMBL1809345 0.82 ADRB2 (0.71) ADRB2ALDH1A1HTTHRH3PLA2G1B
SCHEMBL1811372 0.80 PRKAA2 (0.51) PRKAA2ADRB2ALDH1A1HTTHRH3
SCHEMBL1811485 0.77 ADRB2 (0.44) ADRB2HRH3PLA2G1BATG4B
SCHEMBL518842 0.77 PRKAA2 (0.86) PRKAA2
SCHEMBL518843 0.77 PRKAA2 (0.86) PRKAA2
SCHEMBL12776429 0.77 VNN1 (0.47)
SCHEMBL1807899 0.77 ADRB2 (0.67) PRKAA2ADRB2ALDH1A1HTTHRH3
SCHEMBL2366320 0.76 ALDH1A1 (0.54) PRKAA2ALDH1A1HTTPLA2G1BATG4B

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 PRKAA2 3288/4885ADRB2 199/4885ALDH1A1 787/4885

“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.