SCHEMBL16699688

SCHEMBL16699688

Cc1nc(N)c(CCC2CCN(C(=O)O)CC2)c(O)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.53
OPRK1 P41145 2/20 0.36
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL16699213 0.86 MBOAT4 (0.69) MBOAT4OPRK1
SCHEMBL16699845 0.85 MBOAT4 (0.49) MBOAT4
SCHEMBL19979147 0.84 MBOAT4 (0.46) MBOAT4
SCHEMBL19971821 0.82 MBOAT4 (0.64) MBOAT4OPRK1CHRM2CHRM1CHRM3
SCHEMBL19971822 0.82 MBOAT4 (0.64) MBOAT4OPRK1CHRM2CHRM1CHRM3
SCHEMBL16718693 0.82 MBOAT4 (0.44) MBOAT4
SCHEMBL19971824 0.79 MBOAT4 (0.57) MBOAT4OPRK1
SCHEMBL19991534 0.77 MBOAT4 (0.67) MBOAT4OPRK1CHRM2DGAT1
SCHEMBL20009392 0.75 MBOAT4 (0.60) MBOAT4OPRK1
SCHEMBL18166114 0.75 MBOAT4 (0.66) MBOAT4OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068775-B1 SUBSTITUTED PIPERIDYL-ETHYL-PYRIMIDINE AS GHRELIN O-ACYL TRANSFERASE INHIBITOR LILLY CO ELI (US) 2017-09-06 EP disclosed
EP-3068775-A1 SUBSTITUTED PIPERIDYL-ETHYL-PYRIMIDINE AS GHRELIN O-ACYL TRANSFERASE INHIBITOR Eli Lilly and Company (US) 2016-09-21 EP disclosed
WO-2015073281-A1 SUBSTITUTED PIPERIDYL-ETHYL-PYRIMIDINE AS GHRELIN O-ACYL TRANSFERASE INHIBITOR ELI LILLY AND COMPANY (US) 2015-05-21 WO disclosed
US-9035051-B1 Ghrelin O-acyl transferase inhibitor ELI LILLY AND COMPANY (US) 2015-05-19 US disclosed
US-20150133474-A1 GHRELIN O-ACYL TRANSFERASE INHIBITOR ELI LILLY AND COMPANY 2015-05-14 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-20150133474-A1 GHRELIN O-ACYL TRANSFERASE INHIBITOR MBOAT4, DGAT1, MOGAT2 MBOAT4 1/4885OPRK1 3093/4885GRIN2D 4048/4885

“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.