SCHEMBL19971823

SCHEMBL19971823

COc1cccc(C(=O)NC(C)C(=O)N2CCC(CCc3c(C)nc(Cl)nc3N)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.64
HRH3 Q9Y5N1 1/20 0.43
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL18166195 1.00 MBOAT4 (0.64) MBOAT4HRH3ITGB3ITGA2BALDH1A1
SCHEMBL19971817 0.91 MBOAT4 (0.68) MBOAT4HRH3ITGB3ITGA2B
SCHEMBL19971818 0.91 MBOAT4 (0.68) MBOAT4HRH3ITGB3ITGA2B
SCHEMBL18166209 0.89 MBOAT4 (0.70) MBOAT4HRH3ITGB3ITGA2BGPR139
SCHEMBL19971815 0.89 MBOAT4 (0.70) MBOAT4HRH3ITGB3ITGA2BGPR139
SCHEMBL18166165 0.87 MBOAT4 (0.76) MBOAT4HRH3ALDH1A1TSHR
SCHEMBL19971830 0.87 MBOAT4 (0.76) MBOAT4HRH3ALDH1A1TSHR
SCHEMBL19971813 0.85 MBOAT4 (0.69) MBOAT4HRH3ITGB3ITGA2BALDH1A1
SCHEMBL18166150 0.85 MBOAT4 (0.69) MBOAT4HRH3ITGB3ITGA2BALDH1A1
SCHEMBL18166203 0.84 MBOAT4 (0.80) MBOAT4HRH3ITGB3ITGA2B

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 1/4885HRH3 4291/4885ITGB3 4128/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 MBOAT4 1/4885HRH3 4291/4885ITGB3 4128/4885

“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.