SCHEMBL6794936

SCHEMBL6794936

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.59
LIPG Q9Y5X9 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CES2 O00748 2/20 0.34
GSK3B P49841 1/20 0.34
PNMT P11086 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL150245 1.00 PDE2A (0.59) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL31040742 1.00 PDE2A (0.59) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL31064629 1.00 PDE2A (0.59) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL2481758 0.85 PDE2A (0.64) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL27850851 0.85 PDE2A (0.64) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL27705806 0.85 PDE2A (0.44) PDE2ATAS2R14NPSR1MAPTXBP1
SCHEMBL22747383 0.85 PDE2A (0.44) PDE2ATAS2R14NPSR1MAPTXBP1
SCHEMBL31369068 0.81 PDE2A (0.42) PDE2ATAS2R14NPSR1MAPTXBP1
SCHEMBL25117718 0.81 PDE2A (0.42) PDE2ALIPGTAS2R14NPSR1MAPT
SCHEMBL31064610 0.81 PDE2A (0.64) PDE2ATAS2R14NPSR1MAPTXBP1

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 10 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-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-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 PDE2A 592/4885LIPG 2472/4885TAS2R14 439/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PDE2A 1568/4885LIPG 3135/4885TAS2R14 745/4885

“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.