SCHEMBL6744787

SCHEMBL6744787

CC[C@@H](O)c1cc(Cl)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
PDE2A O00408 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2R P25116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 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
SCHEMBL6742564 0.86 PPARA (0.35) KCNH2LMNAMEN1KMT2AHTT
SCHEMBL6744196 0.86 PPARA (0.35) KCNH2LMNAMEN1KMT2AHTT
SCHEMBL6744805 0.85 KCNH2 (0.43) KCNH2PDE2ALMNAMEN1KMT2A
SCHEMBL3197594 0.81 SMN1; SMN2 (0.32) LMNAMEN1KMT2AHTTMAPT
SCHEMBL21164382 0.81 KCNH2 (0.40) KCNH2LMNAMEN1KMT2AHTT
SCHEMBL18713789 0.79 TSHR (0.38) GABRA1GABRB1LMNAMEN1KMT2A
SCHEMBL14244683 0.79 KCNH2 (0.50) KCNH2PDE2AGABRA1GABRB1LMNA
SCHEMBL31042467 0.79 MEN1 (0.40) KCNH2PDE2AGABRA1GABRB1LMNA
SCHEMBL3119255 0.79 MEN1 (0.40) KCNH2PDE2AGABRA1GABRB1LMNA
SCHEMBL16166567 0.79 MEN1 (0.40) KCNH2PDE2AGABRA1GABRB1LMNA

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
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
WO-2010074088-A1 CYCLIC AMINE 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 KCNH2 246/4885PDE2A 592/4885GABRA1 574/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR KCNH2 185/4885PDE2A 1568/4885GABRA1 364/4885

“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.