SCHEMBL4460419

SCHEMBL4460419

CC(C)(C)OC(=O)N1CCC(CNc2ncc(Br)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
TDO2 P48775 1/20 0.53
BCDIN3D Q7Z5W3 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
GRIN2B Q13224 11/20 0.51
GPR119 Q8TDV5 1/20 0.50
SYK P43405 1/20 0.50
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL28929680 0.86 KDM4E (0.54) IDO1TDO2BCDIN3DKDM4EPKM
SCHEMBL3986190 0.85 KDM4E (0.53) IDO1TDO2BCDIN3DKDM4EPKM
SCHEMBL12939727 0.84 GRIN2B (0.52) BCDIN3DKDM4EPKMGRIN2BGPR119
SCHEMBL3774389 0.82 ALDH1A1 (0.55) GPR119
SCHEMBL4050449 0.82 KDM4E (0.51) IDO1TDO2BCDIN3DKDM4EPKM
SCHEMBL889008 0.81 FPR3 (0.42) IDO1TDO2BCDIN3DKDM4EPKM
SCHEMBL15539667 0.81 FPR2 (0.61) IDO1TDO2KDM4EPKMGPR119
SCHEMBL386491 0.81 GPR119 (0.50) IDO1TDO2KDM4EPKMGRIN2B
SCHEMBL15206132 0.81 IDO1 (0.53) IDO1TDO2BCDIN3DKDM4EPKM
SCHEMBL5077936 0.80 GPR119 (0.63) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 IDO1 2251/4885TDO2 647/4885BCDIN3D 4440/4885

“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.