SCHEMBL6741950

SCHEMBL6741950

CC[C@@H](O)c1cc(F)c(C)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
KDM1A O60341 2/20 0.31
ADRA1A P35348 2/20 0.31
KDM1B Q8NB78 1/20 0.31
ADRB2 P07550 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
RAD52 P43351 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6745174 0.87 PDE2A (0.46) PDE2AADRA2AADRA2BADRA2CADRA1A
SCHEMBL13265231 0.83 PDE2A (0.46) PDE2AADRA2AADRA2BADRA2CADRA1A
SCHEMBL6742606 0.79 KDM1A (0.33) PDE2AKDM1AKDM1B
SCHEMBL13263930 0.79 PDE2A (0.42) PDE2AADRA2AADRA2BADRA2CADRA1A
SCHEMBL1343789 0.73 PDE2A (0.47) PDE2AKCNH2LMNA
SCHEMBL182595 0.73 PDE2A (0.47) PDE2AADRA2AADRA2BADRA2CADRA1A
SCHEMBL2477020 0.73 PDE2A (0.44) PDE2AKCNH2LMNA
SCHEMBL22804486 0.71 PDE2A (0.42) PDE2AADRA2AADRA2BADRA2CADRA1A
SCHEMBL21352143 0.71 BRD4 (0.34)
SCHEMBL375373 0.71 KDM1A (0.50) KDM1AKDM1BKCNH2APEX1NPSR1

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-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

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 592/4885ADRA2A 52/4885ADRA2B 57/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PDE2A 1568/4885ADRA2A 115/4885ADRA2B 116/4885

“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.