SCHEMBL4384582

SCHEMBL4384582

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.42
FPR2 P25090 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38

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
SCHEMBL4386527 0.91 KDM4E (0.45) GPR119FPR2KDM4EPKMMEN1
SCHEMBL4383288 0.88 HRH3 (0.56) GPR119FPR2MEN1ALDH1A1MAPT
SCHEMBL4395383 0.86 GPR119 (0.44) GPR119FPR2
SCHEMBL4382296 0.74 HRH3 (0.53) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL560636 0.73 GPR119 (0.55) GPR119KDM4EPKMFAAH
SCHEMBL25832564 0.73 FPR2 (0.48) GPR119FPR2KDM4EPKMMAPT
SCHEMBL1576008 0.71 GPR119 (0.56) GPR119KDM4EPKMFAAH
SCHEMBL123942 0.71 MEN1 (0.52) GPR119KDM4EPKMMEN1ALDH1A1
SCHEMBL31129356 0.71 HPGD (0.45) GPR119KDM4EPKMFAAH
SCHEMBL1772547 0.71 GPR119 (0.51) GPR119KDM4EPKMMEN1ALDH1A1

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 GPR119 1988/4885FPR2 1155/4885KDM4E 418/4885

“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.