SCHEMBL4387709

SCHEMBL4387709

CN1CCCC1CCN1C(=C(C#N)C#N)NCC1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
BTK Q06187 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL4387707 0.75 TP53 (0.43) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL5507423 0.75 HPGD (0.41) GPR119MAPTHPGD
SCHEMBL16292818 0.67 HPGD (0.44) GPR119HPGD
SCHEMBL4386758 0.66 GPR119 (0.43) GPR119MAPTHPGD
SCHEMBL5507418 0.66 HPGD (0.43) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL5507425 0.66 HPGD (0.43) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL8874070 0.65 GPR119 (0.47) GPR119MAPT
SCHEMBL4393986 0.63 HRH3 (0.57)
SCHEMBL31735223 0.63 NR1H2 (0.50) GPR119MEN1ALDH1A1MAPTKMT2A
SCHEMBL310117 0.63 GPR119 (0.67) GPR119HPGD

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 1 patent. 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

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 1988/4885MEN1 3396/4885ALDH1A1 395/4885

“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.