SCHEMBL377424

SCHEMBL377424

CNc1ccc(CN2CCN(C(=O)O)[C@H](CC(C)(C)C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
AGTR2 P50052 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CCR1 P32246 3/20 0.36

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
SCHEMBL377692 1.00 PKM (0.41) PKMNPC1TP53POLBRAB9A
SCHEMBL1704762 0.84 MEN1 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL377620 0.84 MGLL (0.38)
SCHEMBL377606 0.84 HIF1A (0.34) ALDH1A1MEN1KMT2AKDM4EHIF1A
SCHEMBL377868 0.82 KDM4E (0.51) NPC1RAB9AALDH1A1KDM4ESIGMAR1
SCHEMBL377527 0.82 KDM4E (0.51) NPC1RAB9AALDH1A1KDM4ESIGMAR1
SCHEMBL2785715 0.82 MGLL (0.48) NPC1TP53POLBRAB9ACCR1
SCHEMBL2766842 0.82 MGLL (0.48) NPC1TP53POLBRAB9ACCR1
SCHEMBL22867981 0.75 DPP4 (0.39) CA1CA2CA4CA9
SCHEMBL1995581 0.75 MLNR (0.62) PKMTP53POLBALDH1A1MEN1

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-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 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-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 PKM 3669/4885NPC1 711/4885TP53 4698/4885

“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.