SCHEMBL377560

SCHEMBL377560

C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(C)(C)C)N1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KCNJ1 P48048 2/20 0.45
KCNH2 Q12809 1/20 0.45
NPC1 O15118 1/20 0.45
NR2F2 P24468 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 6/20 0.44
GBA1 P04062 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL1703946 0.85 ALDH1A1 (0.38) KDM4ESMN1; SMN2MAPK1ALDH1A1SIGMAR1
SCHEMBL377570 0.85 SIGMAR1 (0.37) ALDH1A1GBA1SIGMAR1LMNA
SCHEMBL377505 0.83 MLNR (0.36) KDM4ENPC1RAB9AALDH1A1
SCHEMBL1704581 0.81 MLNR (0.38)
SCHEMBL377869 0.79 KDM4E (0.53) KDM4ESMN1; SMN2KCNJ1NPC1NR2F2
SCHEMBL377528 0.79 KDM4E (0.53) KDM4ESMN1; SMN2KCNJ1NPC1NR2F2
SCHEMBL2768306 0.78 KDM4E (0.53) KDM4ESMN1; SMN2KCNJ1KCNH2NPC1
SCHEMBL2765411 0.75 KDM4E (0.56) KDM4ESMN1; SMN2KCNJ1KCNH2NPC1
SCHEMBL2767995 0.75 KDM4E (0.56) KDM4ESMN1; SMN2KCNJ1KCNH2NPC1
SCHEMBL377559 0.72 ALDH1A1 (0.48) KDM4ESMN1; SMN2KCNJ1KCNH2NPC1

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 2072/4885KCNJ1 1035/4885

“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.