SCHEMBL377570

SCHEMBL377570

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 2/20 0.35
S1PR1 P21453 6/20 0.34
S1PR5 Q9H228 6/20 0.34
S1PR4 O95977 3/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CCR5 P51681 1/20 0.33
MLNR O43193 1/20 0.33
CYP3A4 P08684 1/20 0.33
S1PR3 Q99500 1/20 0.32
CXCR3 P49682 1/20 0.32

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 0.88 ALDH1A1 (0.38) SIGMAR1LMNAALDH1A1CHRM2CHRM1
SCHEMBL377505 0.86 MLNR (0.36) OPRM1OPRK1ALDH1A1S1PR1S1PR5
SCHEMBL377560 0.85 KDM4E (0.45) SIGMAR1LMNAGBA1ALDH1A1
SCHEMBL1704581 0.84 MLNR (0.38) OPRM1OPRK1S1PR1S1PR5S1PR4
SCHEMBL377467 0.77 LMNA (0.44) SIGMAR1LMNAALDH1A1
SCHEMBL377823 0.77 LMNA (0.44) SIGMAR1LMNAALDH1A1
SCHEMBL11967642 0.74 MLNR (0.66) OPRM1OPRK1MLNRCYP3A4
SCHEMBL2767693 0.74 GBA1 (0.47) SIGMAR1LMNAGBA1ALDH1A1S1PR1
SCHEMBL2768126 0.71 MGLL (0.50) SIGMAR1LMNAALDH1A1
SCHEMBL2766247 0.71 MGLL (0.50) SIGMAR1LMNAALDH1A1

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 SIGMAR1 408/4885LMNA 4338/4885OPRM1 134/4885

“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.