SCHEMBL6745262

SCHEMBL6745262

O[C@@H](c1ccccc1Br)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PDE2A O00408 1/20 0.42
OPRL1 P41146 3/20 0.36
CFTR P13569 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HTT P42858 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL6744668 1.00 SLC18A3 (0.44) SLC18A3SIGMAR1PDE2AOPRL1CFTR
SCHEMBL9518044 1.00 SLC18A3 (0.44) SLC18A3SIGMAR1PDE2AOPRL1CFTR
SCHEMBL14830564 0.81 PDE2A (0.41) SLC18A3SIGMAR1PDE2AOPRK1NR1I2
SCHEMBL1017887 0.81 SLC18A3 (0.35) SLC18A3SIGMAR1OPRL1CFTR
SCHEMBL2479070 0.75 HTT (0.38) SLC18A3SIGMAR1OPRL1IDO1TDO2
SCHEMBL2472871 0.75 HTT (0.38) SLC18A3SIGMAR1OPRL1IDO1TDO2
SCHEMBL4610704 0.75 ESR1 (0.43) PDE2AOPRL1IDO1TDO2OPRM1
SCHEMBL2504578 0.75 OPRL1 (0.45) PDE2AOPRL1IDO1TDO2OPRM1
SCHEMBL4610755 0.75 ESR1 (0.43) PDE2AOPRL1IDO1TDO2OPRM1
SCHEMBL5485147 0.75 PDE2A (0.54) PDE2AOPRL1IDO1TDO2OPRM1

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-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
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed
WO-2010074089-A1 INDANYL 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 SLC18A3 380/4885SIGMAR1 129/4885PDE2A 592/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR SLC18A3 808/4885SIGMAR1 308/4885PDE2A 1568/4885

“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.