SCHEMBL6742564

SCHEMBL6742564

CCC[C@@H](O)c1cc(Cl)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.35
F2R P25116 1/20 0.35
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
KCNH2 Q12809 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6744196 1.00 PPARA (0.35) PPARAF2RPSEN1PSEN2APH1B
SCHEMBL6741743 0.86 PPARA (0.35) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL6744994 0.86 PPARA (0.35) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL3197594 0.86 SMN1; SMN2 (0.32) PPARAPSEN1PSEN2APH1BNCSTN
SCHEMBL6744787 0.86 KCNH2 (0.43) F2RKCNH2MEN1KMT2AALDH1A1
SCHEMBL20804674 0.81 POLB (0.41) KCNH2MEN1KMT2AALDH1A1LMNA
SCHEMBL6742438 0.79 CYP11B1 (0.42) F2RMEN1KMT2AALDH1A1HPGD
SCHEMBL20032464 0.79 KCNH2 (0.34) PPARAF2RPSEN1PSEN2APH1B
SCHEMBL6745173 0.79 CYP11B1 (0.42) F2RMEN1KMT2AALDH1A1HPGD
SCHEMBL27671799 0.79 LMNA (0.48) KCNH2MEN1KMT2ALMNATDP1

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 14 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
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO 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 PPARA 1874/4885F2R 651/4885PSEN1 1073/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PPARA 1017/4885F2R 465/4885PSEN1 1091/4885

“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.