SCHEMBL6744813

SCHEMBL6744813

CC[C@@H](O)c1cccc(Cl)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
AOC3 Q16853 1/20 0.41
CYP2D6 P10635 3/20 0.40
NFKB1 P19838 2/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.39
BLM P54132 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
PNMT P11086 1/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2477828 0.86 ADRB2 (0.39) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL6741849 0.86 ADRB2 (0.39) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL16070801 0.81 CYP2D6 (0.52) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL14665090 0.80 ADRB2 (0.59) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL16064818 0.80 ADRB2 (0.59) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL866713 0.80 ADRB2 (0.59) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL31521481 0.80 ADRB2 (0.59) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL17980325 0.79 LMNA (0.41) ADRB1HIF1ALMNABLMCYP1A2
SCHEMBL6745426 0.79 LMNA (0.41) ADRB1HIF1ALMNABLMCYP1A2
SCHEMBL6741747 0.79 CYP1A2 (0.44) ADRB2ADRB1AOC3CYP2D6NFKB1

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
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

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 ADRB2 60/4885ADRB1 49/4885AOC3 1204/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ADRB2 95/4885ADRB1 70/4885AOC3 4318/4885

“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.