SCHEMBL6719418

SCHEMBL6719418

CC(Cc1ccccc1)OC(=O)CNCC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.38
HSD11B2 P80365 1/20 0.37
ATM Q13315 3/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
YAP1 P46937 2/20 0.35
BRD4 O60885 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL4444035 0.84 SIGMAR1 (0.42) GPR119HSD11B2ATMKMT2AMAPK1
SCHEMBL3614064 0.83 KEAP1 (0.41) GPR119HSD11B2ATMKMT2AKDM4E
SCHEMBL13110173 0.83 KEAP1 (0.41) GPR119HSD11B2ATMKMT2AKDM4E
SCHEMBL3614066 0.83 KEAP1 (0.41) GPR119HSD11B2ATMKMT2AKDM4E
SCHEMBL7504057 0.83 MEN1 (0.44) HSD11B2KMT2AMEN1
SCHEMBL6719414 0.83 MEN1 (0.39) HSD11B2KMT2AMEN1KDM4ESPHK1
SCHEMBL6821991 0.81 GPR119 (0.36) GPR119ATMKMT2AMAPK1MEN1
SCHEMBL7494707 0.80 SPHK1 (0.43) HSD11B2KDM4EPKMSPHK1BRD4
SCHEMBL6719409 0.78 ELANE (0.41) GPR119ATMKMT2AMAPK1
SCHEMBL7499182 0.78 ELANE (0.41) GPR119ATMKMT2AMAPK1

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-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 GPR119 201/4885HSD11B2 702/4885ATM 4839/4885

“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.