SCHEMBL377868

SCHEMBL377868

CC(C)(C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NR2F2 P24468 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.47
KCNJ1 P48048 1/20 0.47
CCR2 P41597 1/20 0.46
MGLL Q99685 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
HTT P42858 1/20 0.44
GALR3 O60755 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL377527 1.00 KDM4E (0.51) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL2765411 0.82 KDM4E (0.56) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL2767995 0.82 KDM4E (0.56) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL2004445 0.82 KCNJ1 (0.40) KDM4ESMN1; SMN2ALDH1A1LMNAKCNJ1
SCHEMBL377692 0.82 PKM (0.41) KDM4ENPC1RAB9AALDH1A1SIGMAR1
SCHEMBL377424 0.82 PKM (0.41) KDM4ENPC1RAB9AALDH1A1SIGMAR1
SCHEMBL1704762 0.80 MEN1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL377526 0.75 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL377867 0.75 ALDH1A1 (0.48) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL6416345 0.73 KDM4E (0.71) KDM4ESMN1; SMN2NPC1RAB9ANR2F2

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 KDM4E 4252/4885SMN1; SMN2 2072/4885NPC1 711/4885

“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.