SCHEMBL6795750

SCHEMBL6795750

COc1ccc([C@@H](C)O)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA1A P35348 2/20 0.46
CYP2D6 P10635 2/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
APLNR P35414 3/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HPGD P15428 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
CYP11B1 P15538 1/20 0.40

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
SCHEMBL22897820 1.00 ADRA2A (0.46) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL14691495 0.86 ADRA2A (0.49) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL6796164 0.86 ADRA2A (0.49) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL12806649 0.83 CYP1A2 (0.45) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL19667851 0.83 ADRA2A (0.53) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL31248967 0.83 CYP1A2 (0.45) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL12248178 0.80 ADRA2A (0.46) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL31439778 0.80 ADRA2A (0.54) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL22897809 0.80 CYP2D6 (0.41) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL31003156 0.80 ADRA2A (0.46) ADRA2AADRA1ACYP2D6MEN1MAPK1

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 8 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-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-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP 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 ADRA2A 52/4885ADRA1A 89/4885CYP2D6 722/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ADRA2A 115/4885ADRA1A 144/4885CYP2D6 320/4885

“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.