SCHEMBL6745173

SCHEMBL6745173

CCCC(O)c1cc(F)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
F2R P25116 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
F2RL1 P55085 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GCGR P47871 1/20 0.32
PKM P14618 1/20 0.32
PDE2A O00408 1/20 0.32
APLNR P35414 1/20 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
SCHEMBL6742438 1.00 CYP11B1 (0.42) CYP11B1CYP11B2F2RALDH1A1HPGD
SCHEMBL7907144 0.89 PPARG (0.38) CYP11B1CYP11B2
SCHEMBL2477020 0.86 PDE2A (0.44) F2RF2RL1CES2CES1GCGR
SCHEMBL31357665 0.81 CES2 (0.32) CES2CES1PKM
SCHEMBL13265123 0.81 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1HPGDF2RL1
SCHEMBL6744196 0.79 PPARA (0.35) F2RALDH1A1HPGDMEN1KMT2A
SCHEMBL6742564 0.79 PPARA (0.35) F2RALDH1A1HPGDMEN1KMT2A
SCHEMBL13263818 0.79 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1HPGDF2RL1
SCHEMBL28750119 0.77 F2R (0.31) F2R
SCHEMBL485870 0.76 MEN1 (0.40) MEN1KMT2ACES2CES1GCGR

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
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-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 CYP11B1 1380/4885CYP11B2 1172/4885F2R 651/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR CYP11B1 743/4885CYP11B2 637/4885F2R 465/4885

“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.