SCHEMBL19971810

SCHEMBL19971810

COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCC[C@H](CCc3c(N)nc(C)nc3Cl)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.81
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18166164 1.00 MBOAT4 (0.81) MBOAT4ITGB3ITGA2BHRH3ALDH1A1
SCHEMBL18166216 0.97 MBOAT4 (0.75) MBOAT4ITGB3ITGA2BHRH3
SCHEMBL19971856 0.97 MBOAT4 (0.75) MBOAT4ITGB3ITGA2BHRH3
SCHEMBL19971830 0.92 MBOAT4 (0.76) MBOAT4HRH3ALDH1A1
SCHEMBL18166165 0.92 MBOAT4 (0.76) MBOAT4HRH3ALDH1A1
SCHEMBL19984463 0.90 MBOAT4 (1.00) MBOAT4ITGB3ITGA2B
SCHEMBL19971780 0.90 MBOAT4 (1.00) MBOAT4ITGB3ITGA2B
SCHEMBL20012969 0.89 MBOAT4 (0.63) MBOAT4ITGB3ITGA2BHRH3
SCHEMBL18166209 0.88 MBOAT4 (0.70) MBOAT4ITGB3ITGA2BHRH3
SCHEMBL19971815 0.88 MBOAT4 (0.70) MBOAT4ITGB3ITGA2BHRH3

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 1/4885ITGB3 4128/4885ITGA2B 3681/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 MBOAT4 1/4885ITGB3 4128/4885ITGA2B 3681/4885

“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.