SCHEMBL2472871

SCHEMBL2472871

C[C@@H](c1ccccc1Br)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
SLC18A3 Q16572 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRL1 P41146 2/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
HRH1 P35367 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
SCHEMBL2479070 1.00 HTT (0.38) HTTIDO1TDO2SIGMAR1SLC18A3
SCHEMBL27832525 1.00 HTT (0.38) HTTIDO1TDO2SIGMAR1SLC18A3
SCHEMBL17537106 0.81 GABRA1 (0.41) HTTCYP3A4GABRA1GABRB2
SCHEMBL17537186 0.81 GABRA1 (0.41) HTTCYP3A4GABRA1GABRB2
SCHEMBL17537122 0.81 GABRA1 (0.41) HTTCYP3A4GABRA1GABRB2
SCHEMBL29056881 0.81 IDH1 (0.31)
SCHEMBL29056877 0.81 IDH1 (0.31)
SCHEMBL29056904 0.81 IDH1 (0.31)
SCHEMBL28451609 0.81 GABRA1 (0.33) CYP3A4GABRA1GABRB2
SCHEMBL28451608 0.81 GABRA1 (0.33) CYP3A4GABRA1GABRB2

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
CN-102307847-A Indanyl compounds DAIICHI SANKYO CO LTD 2012-01-04 CN disclosed
CN-102307852-A Cyclic amine compounds DAIICHI SANKYO CO LTD 2012-01-04 CN 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-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP 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 (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 HTT 3708/4885IDO1 1647/4885TDO2 2786/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR HTT 3984/4885IDO1 959/4885TDO2 2454/4885

“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.