SCHEMBL6741193

SCHEMBL6741193

COc1cc(F)cc([C@@H](C)OC[C@H]2CO2)c1Br

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
PTPN1 P18031 1/20 0.31
DRD4 P21917 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL6797292 1.00 ALDH1A1 (0.33) ALDH1A1GLAPTPN1DRD4HTR2A
SCHEMBL6742165 0.86 ALDH1A1 (0.32) ALDH1A1GLA
SCHEMBL17226995 0.80 ALDH1A1 (0.40) ALDH1A1GLAPTPN1
SCHEMBL6741923 0.80 ALDH1A1 (0.40) ALDH1A1GLAPTPN1
SCHEMBL10165848 0.79
SCHEMBL2476778 0.78 ALDH1A1 (0.35) ALDH1A1GLA
SCHEMBL2503620 0.76 ALDH1A1 (0.35) ALDH1A1GLA
SCHEMBL2477285 0.76 ALDH1A1 (0.35) ALDH1A1GLA
SCHEMBL6742164 0.75 ALDH1A1 (0.32) ALDH1A1GLA
SCHEMBL6799620 0.75 ALDH1A1 (0.32) ALDH1A1GLA

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 7 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-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

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 ALDH1A1 2584/4885GLA 3204/4885PTPN1 3069/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR ALDH1A1 2138/4885GLA 1682/4885PTPN1 3507/4885

“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.