SCHEMBL6745332

SCHEMBL6745332

CCCC(O)c1cccc(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
AOC3 Q16853 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
PPARG P37231 2/20 0.30
COMT P21964 1/20 0.30
DRD3 P35462 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL6742914 1.00 MAPK1 (0.33) MAPK1GABRA1GABRB2CYP11B1CYP11B2
SCHEMBL17980325 0.85 LMNA (0.41) MAPK1GABRA1GABRB2ALDH1A1SLC6A2
SCHEMBL6745426 0.85 LMNA (0.41) MAPK1GABRA1GABRB2ALDH1A1SLC6A2
SCHEMBL16706946 0.81 ALDH1A1 (0.33) GABRA1GABRB2ALDH1A1SLC6A2LMNA
SCHEMBL16706940 0.81 ALDH1A1 (0.33) GABRA1GABRB2ALDH1A1SLC6A2LMNA
SCHEMBL6055262 0.81 TRPA1 (0.39) MAPK1CYP11B1CYP11B2ALDH1A1SLC6A2
SCHEMBL539922 0.81 ESR1 (0.43) SLC6A2SLC6A4SLC6A3AOC3LMNA
SCHEMBL6741771 0.81 CYP11B1 (0.36) GABRA1GABRB2CYP11B1CYP11B2TAS1R3
SCHEMBL2477828 0.81 ADRB2 (0.39) ALDH1A1AOC3LMNATAS1R3TAS1R1
SCHEMBL6741849 0.81 ADRB2 (0.39) ALDH1A1AOC3LMNATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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 (2 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 MAPK1 2484/4885GABRA1 574/4885GABRB2 647/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MAPK1 3096/4885GABRA1 364/4885GABRB2 507/4885

“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.