SCHEMBL19971821

SCHEMBL19971821

Cc1nc(N)c(CC[C@@H]2CCCN(C(=O)O)CC2)c(Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.64
OPRK1 P41145 1/20 0.34
MAP3K12 Q12852 1/20 0.32
CHRM4 P08173 1/20 0.31
FAAH O00519 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL19971822 1.00 MBOAT4 (0.64) MBOAT4OPRK1MAP3K12CHRM4FAAH
SCHEMBL16699213 0.95 MBOAT4 (0.69) MBOAT4OPRK1CHRM4FAAHIDO1
SCHEMBL18166107 0.87 MBOAT4 (0.71) MBOAT4OPRK1
SCHEMBL19971808 0.87 MBOAT4 (0.71) MBOAT4OPRK1
SCHEMBL19971809 0.87 MBOAT4 (0.71) MBOAT4OPRK1
SCHEMBL18166117 0.86 MBOAT4 (0.59) MBOAT4FAAH
SCHEMBL19971844 0.86 MBOAT4 (0.81) MBOAT4OPRK1
SCHEMBL19971843 0.86 MBOAT4 (0.81) MBOAT4OPRK1
SCHEMBL18166114 0.84 MBOAT4 (0.66) MBOAT4OPRK1FAAH
SCHEMBL16728368 0.83 MBOAT4 (0.77) MBOAT4OPRK1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227310-B2 Ghrelin 0-acyl transferase inhibitors ELI LILLY AND COMPANY (US) 2019-03-12 US disclosed
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY 2018-03-22 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 (2 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-10227310-B2 Ghrelin 0-acyl transferase inhibitors MBOAT4, GIPR, PLAAT2 MBOAT4 1/4885OPRK1 3962/4885MAP3K12 4331/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 MBOAT4 1/4885OPRK1 3962/4885MAP3K12 4331/4885

“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.