SCHEMBL4386527

SCHEMBL4386527

CC(C)(C)OC(=O)N1CCC(CN2CCN(CC3CCN(C(=O)OC(C)(C)C)CC3)C2=C(C#N)C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
FPR2 P25090 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 9/20 0.43
HPGD P15428 1/20 0.42
FAAH O00519 1/20 0.41
RECQL P46063 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL4384582 0.91 GPR119 (0.42) KDM4EPKMFPR2MEN1ALDH1A1
SCHEMBL4383288 0.88 HRH3 (0.56) FPR2MEN1ALDH1A1MAPTKMT2A
SCHEMBL4395383 0.86 GPR119 (0.44) FPR2GPR119
SCHEMBL123942 0.78 MEN1 (0.52) KDM4EPKMMEN1ALDH1A1MAPT
SCHEMBL1774237 0.77 MEN1 (0.51) KDM4EPKMMEN1ALDH1A1MAPT
SCHEMBL25832564 0.77 FPR2 (0.48) KDM4EPKMFPR2MAPTGPR119
SCHEMBL5573169 0.75 HPGD (0.53) KDM4EPKMALDH1A1MAPTGPR119
SCHEMBL15770892 0.75 FPR2 (0.47) KDM4EPKMFPR2MAPTGPR119
SCHEMBL1772547 0.75 GPR119 (0.51) KDM4EPKMMEN1ALDH1A1MAPT
SCHEMBL189570 0.74 FPR2 (0.51) KDM4EPKMFPR2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 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 (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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 KDM4E 418/4885PKM 3834/4885FPR2 1155/4885

“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.