SCHEMBL2476776

SCHEMBL2476776

C[C@@H](O)c1cccc(F)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
HTR2C P28335 3/20 0.37
CYP3A4 P08684 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL25665348 1.00 CES2 (0.37) CES2CES1HTR2CCYP3A4GABRA1
SCHEMBL21150479 0.84 GABRA1 (0.44) HTR2CCYP3A4GABRA1GABRG2GABRB3
SCHEMBL11120667 0.83 GABRA1 (0.44) HTR2CCYP3A4GABRA1GABRG2GABRB3
SCHEMBL25665347 0.81 P2RX7 (0.43) CES2CES1HTR2CCYP3A4GABRA1
SCHEMBL27918656 0.79 CYP3A4 (0.39) CES2CES1HTR2CCYP3A4GABRA1
SCHEMBL28659514 0.79 GABRA1 (0.37) HTR2CCYP3A4GABRA1GABRG2GABRB3
SCHEMBL16961139 0.79 FAAH (0.32) CES2CES1HTR2CCYP3A4GABRA1
SCHEMBL6744226 0.79 PDE2A (0.44) CES2CES1CYP3A4GABRA1GABRG2
SCHEMBL20386379 0.79 CES2 (0.34) CES2CES1CYP3A4LMNAADRB1
SCHEMBL23363630 0.78 CES2 (0.52) CES2CES1HTR2CCYP3A4GABRA1

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 19 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
CN-102307852-B Cyclic amine compounds DAIICHI SANKYO CO LTD 2013-12-18 CN 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
CN-102307847-A Indanyl compounds DAIICHI SANKYO CO LTD 2012-01-04 CN disclosed
CN-102307852-A Cyclic amine compounds DAIICHI SANKYO CO LTD 2012-01-04 CN 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

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 CES2 880/4885CES1 1446/4885HTR2C 198/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR CES2 2526/4885CES1 1755/4885HTR2C 581/4885

“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.