SCHEMBL15845815

SCHEMBL15845815

CC(C)(C)OC(=O)N1CCC(CCOCc2ccccc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
GPR119 Q8TDV5 13/20 0.47
KDM1A O60341 1/20 0.44
STS P08842 1/20 0.43
TGFBR1 P36897 1/20 0.43

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
SCHEMBL15845586 0.85 TEAD1 (0.44) KDM4E
SCHEMBL3251863 0.84 KDM4E (0.58) KDM4EPKMGPR119STS
SCHEMBL28036593 0.83 FAAH (0.36) KDM4EPKM
SCHEMBL25471671 0.83 CARM1 (0.53) KDM4EPKMGPR119KDM1ASTS
SCHEMBL1575576 0.83 GPR119 (0.56) KDM4EPKMGPR119
SCHEMBL27378608 0.82 KDM4E (0.56) KDM4EPKMGPR119STS
SCHEMBL15684511 0.81 KDM4E (0.51) KDM4EPKMGPR119KDM1ASTS
SCHEMBL1475518 0.81 STS (0.51) KDM4EPKMGPR119KDM1ASTS
SCHEMBL15845807 0.80 CARM1 (0.44)
SCHEMBL4136705 0.79 PRMT5 (0.52) KDM4EPKMGPR119KDM1ASTS

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656971-B2 COMT inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
US-9656971-B2 COMT inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
EP-2938600-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2017-01-25 EP disclosed
EP-2938600-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2017-01-25 EP disclosed
US-20160002177-A1 COMT INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160002177-A1 COMT INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
EP-2938600-A1 COMT INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-11-04 EP disclosed
WO-2014102233-A1 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-03 WO disclosed
WO-2014102233-A1 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-03 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 (1 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-20160002177-A1 COMT INHIBITORS COMT, PNMT, SLC6A3 KDM4E 1308/4885PKM 970/4885GPR119 2051/4885

“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.