SCHEMBL6796667

SCHEMBL6796667

C[C@@H](O)c1ccc(C#N)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GSK3B P49841 2/20 0.34
HTT P42858 1/20 0.34
CXCR2 P25025 2/20 0.34
CXCR1 P25024 1/20 0.34
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL20482938 0.85 MEN1 (0.39) MEN1TTRALBKMT2AFFAR1
SCHEMBL12251119 0.85 MEN1 (0.42) MEN1TTRALBKMT2AFFAR1
SCHEMBL28794938 0.83 MEN1 (0.41) MEN1TTRALBKMT2AFFAR1
SCHEMBL24254435 0.79 MEN1 (0.37) MEN1TTRALBKMT2AFFAR1
SCHEMBL22604363 0.79 CYP2A6 (0.37) MEN1TTRALBKMT2AFFAR1
SCHEMBL9931297 0.79 MEN1 (0.43) MEN1TTRALBKMT2AALDH1A1
SCHEMBL29865001 0.79 MEN1 (0.43) MEN1TTRALBKMT2AALDH1A1
SCHEMBL3737426 0.78 PDE2A (0.50) MEN1KMT2AFFAR1ALDH1A1CYP2A6
SCHEMBL29098016 0.78 PDE2A (0.39) MEN1KMT2AFFAR1ALDH1A1CYP2A6
SCHEMBL30200169 0.78 PDE2A (0.39) MEN1KMT2AFFAR1ALDH1A1CYP2A6

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-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
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 MEN1 1659/4885TTR 4703/4885ALB 2948/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MEN1 2944/4885TTR 3808/4885ALB 2332/4885

“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.