SCHEMBL2476049

SCHEMBL2476049

C[C@@H](OC[C@H]1CO1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
CYP2D6 P10635 1/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 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
SCHEMBL12202111 0.83 ALDH1A1 (0.37) ALDH1A1GLATDP1TSHRTP53
SCHEMBL9235403 0.83 TDP1 (0.50) ALDH1A1GLATDP1TSHRTP53
SCHEMBL2058774 0.80 ALDH1A1 (0.35) ALDH1A1GLATDP1TSHRTP53
SCHEMBL16709681 0.77 SLC6A4 (0.35) ALDH1A1GLATDP1TSHRTP53
SCHEMBL16709774 0.77 CHRM2 (0.44) ALDH1A1GLATDP1TSHRTP53
SCHEMBL1556308 0.74 ALDH1A1 (0.41) ALDH1A1GLATDP1TSHRTP53
SCHEMBL5629668 0.74 ALDH1A1 (0.41) ALDH1A1GLATDP1TSHRTP53
SCHEMBL13597371 0.74 ALDH1A1 (0.41) ALDH1A1GLATDP1TSHRTP53
SCHEMBL5629673 0.74 ALDH1A1 (0.41) ALDH1A1GLATDP1TSHRTP53
SCHEMBL13078550 0.73 TSHR (0.33) ALDH1A1GLATDP1TSHRMAPT

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 9 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-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP 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
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
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 (1 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 ALDH1A1 2584/4885GLA 3204/4885TDP1 3917/4885

“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.