SCHEMBL2475856

SCHEMBL2475856

Cc1ccc([C@@H](C)OC[C@H]2CO2)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
GLA P06280 1/20 0.36
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TSHR P16473 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 3/20 0.31
HPGD P15428 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP1A2 P05177 2/20 0.31
PPARG P37231 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL10151075 1.00 ALDH1A1 (0.36) ALDH1A1GLAHTR2BHTR2AHTR2C
SCHEMBL6741517 0.89 ALDH1A1 (0.36) ALDH1A1GLAHTR2BHTR2AHTR2C
SCHEMBL2475657 0.89 ALDH1A1 (0.36) ALDH1A1GLAHTR2BHTR2AHTR2C
SCHEMBL17226978 0.84 PKM (0.41) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL6796536 0.84 PKM (0.41) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL2477285 0.84 ALDH1A1 (0.35) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL2503620 0.84 ALDH1A1 (0.35) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL6741725 0.84 ALDH1A1 (0.33) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL10165731 0.84 ALDH1A1 (0.33) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL6741986 0.83 ALDH1A1 (0.34) ALDH1A1GLAHTR2BHTR2AHTR2C

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
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 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

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 ALDH1A1 2584/4885GLA 3204/4885HTR2B 179/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885GLA 1682/4885HTR2B 615/4885

“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.