SCHEMBL377528

SCHEMBL377528

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NR2F2 P24468 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.48
KCNJ1 P48048 2/20 0.48
HTT P42858 1/20 0.46
GALR3 O60755 1/20 0.46
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MGLL Q99685 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
SCHEMBL377869 1.00 KDM4E (0.53) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL377467 0.84 LMNA (0.44) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL3554138 0.84 KDM4E (0.39) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL377693 0.82 RAB9A (0.40) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL377425 0.82 RAB9A (0.40) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2004447 0.81 KCNJ1 (0.41) KDM4ESMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL1704763 0.81 CYP4F2 (0.38) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL26134408 0.80 TDP1 (0.42) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL377560 0.79 KDM4E (0.45) KDM4ESMN1; SMN2NPC1RAB9ANR2F2
SCHEMBL26134500 0.76 KDM4E (0.44) 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 4 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
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 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.