SCHEMBL2477020

SCHEMBL2477020

CC[C@@H](O)c1cc(F)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.44
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PKM P14618 2/20 0.33
GCGR P47871 1/20 0.33
F2R P25116 1/20 0.33
APLNR P35414 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AOC3 Q16853 1/20 0.33
F2RL1 P55085 2/20 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
SCHEMBL6745173 0.86 CYP11B1 (0.42) PDE2ACES2CES1PKMGCGR
SCHEMBL6742438 0.86 CYP11B1 (0.42) PDE2ACES2CES1PKMGCGR
SCHEMBL1343789 0.85 PDE2A (0.47) PDE2AKCNH2LMNACES2CES1
SCHEMBL7907144 0.82 PPARG (0.38)
SCHEMBL953919 0.81 PDE2A (0.50) PDE2AKCNH2LMNACES2CES1
SCHEMBL485870 0.79 MEN1 (0.40) PDE2AKCNH2CES2CES1PKM
SCHEMBL30134154 0.79 MEN1 (0.40) PDE2AKCNH2CES2CES1PKM
SCHEMBL2476608 0.79 MEN1 (0.40) PDE2AKCNH2CES2CES1PKM
SCHEMBL13263944 0.78 PDE2A (0.44) PDE2AKCNH2LMNACES2CES1
SCHEMBL15273618 0.78 PDE2A (0.44) PDE2AKCNH2LMNACES2CES1

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 17 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-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-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-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
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
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 PDE2A 592/4885KCNH2 246/4885LMNA 2492/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PDE2A 1568/4885KCNH2 185/4885LMNA 2734/4885

“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.