SCHEMBL377467

SCHEMBL377467

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 5/20 0.40
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL377823 1.00 LMNA (0.44) LMNAALDH1A1SIGMAR1HRH3KMT2A
SCHEMBL377693 0.85 RAB9A (0.40) LMNAALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL377425 0.85 RAB9A (0.40) LMNAALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL377869 0.84 KDM4E (0.53) LMNAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL377528 0.84 KDM4E (0.53) LMNAALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL3565835 0.83 RAB9A (0.41) LMNAALDH1A1SIGMAR1KMT2AKDM4E
SCHEMBL1704763 0.83 CYP4F2 (0.38) LMNAALDH1A1SIGMAR1KDM4ESMN1; SMN2
SCHEMBL377502 0.82 NR1H2 (0.36) ALDH1A1KMT2AKDM4EMEN1ATM
SCHEMBL1995977 0.80 NR1H2 (0.55) ALDH1A1KMT2AKDM4EMEN1ATM
SCHEMBL1632683 0.79 KDM4E (0.48) ALDH1A1SIGMAR1KMT2AKDM4ESMN1; SMN2

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 LMNA 4338/4885ALDH1A1 3575/4885SIGMAR1 408/4885

“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.