SCHEMBL6741849

SCHEMBL6741849

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
AOC3 Q16853 1/20 0.39
CYP2D6 P10635 3/20 0.38
NFKB1 P19838 2/20 0.38
HIF1A Q16665 1/20 0.38
BLM P54132 1/20 0.37
F2RL1 P55085 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
PNMT P11086 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33

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 1.00 ADRB2 (0.39) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL6744813 0.86 ADRB2 (0.41) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL5693670 0.82 ADRB2 (0.56) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL6742914 0.81 MAPK1 (0.33) AOC3TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL6745332 0.81 MAPK1 (0.33) AOC3TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL6741771 0.79 CYP11B1 (0.36) ADRB1CYP2D6TAS1R3TAS1R1CYP3A4
SCHEMBL15675244 0.79 CFD (0.49) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL13264006 0.79 ADRB2 (0.39) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL13265170 0.79 ADRB2 (0.39) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL15352402 0.79 CYP1A2 (0.45) 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 12 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
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074088-A1 CYCLIC AMINE 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 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.