SCHEMBL19971855

SCHEMBL19971855

Cc1nc(N)c(CC[C@H]2CCCN(C(=O)[C@H](C)NC(=O)c3cccnn3)CC2)c(Cl)n1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.76
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
P2RY12 Q9H244 2/20 0.34
OPRK1 P41145 1/20 0.33

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
SCHEMBL19984373 1.00 MBOAT4 (0.76) MBOAT4ITGB3ITGA2BP2RY12OPRK1
SCHEMBL18166205 0.97 MBOAT4 (0.71) MBOAT4ITGB3ITGA2BP2RY12OPRK1
SCHEMBL19971814 0.97 MBOAT4 (0.71) MBOAT4ITGB3ITGA2BP2RY12OPRK1
SCHEMBL18166119 0.92 MBOAT4 (0.80) MBOAT4ITGB3ITGA2BP2RY12
SCHEMBL19971812 0.92 MBOAT4 (0.80) MBOAT4ITGB3ITGA2BP2RY12
SCHEMBL19971836 0.88 MBOAT4 (0.74) MBOAT4ITGB3ITGA2BP2RY12OPRK1
SCHEMBL19971837 0.88 MBOAT4 (0.74) MBOAT4ITGB3ITGA2BP2RY12OPRK1
SCHEMBL19984463 0.87 MBOAT4 (1.00) MBOAT4ITGB3ITGA2B
SCHEMBL19971780 0.87 MBOAT4 (1.00) MBOAT4ITGB3ITGA2B
SCHEMBL18166121 0.86 MBOAT4 (0.84) MBOAT4

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.