SCHEMBL6744607

SCHEMBL6744607

CC[C@@H](O)c1ccc(C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
LMNA P02545 2/20 0.38
TRPA1 O75762 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL6745414 0.85 PDE5A (0.39) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL6741699 0.85 PDE5A (0.39) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL6055146 0.80 PDE2A (0.43) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL20342536 0.80 PDE2A (0.43) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL1343789 0.79 PDE2A (0.47) PDE2ALMNARAB9ANPC1
SCHEMBL6744805 0.79 KCNH2 (0.43) PDE2ALMNATDP1ALDH1A1KDM4E
SCHEMBL11138508 0.78 LMNA (0.59) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL28493300 0.78 LMNA (0.47) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL2474757 0.78 LMNA (0.47) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL11457242 0.77 LMNA (0.52) PDE2ALMNATRPA1CHRM1SLC6A2

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 11 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
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 PDE2A 592/4885LMNA 2492/4885TRPA1 35/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR PDE2A 1568/4885LMNA 2734/4885TRPA1 28/4885

“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.