SCHEMBL19971809

SCHEMBL19971809

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.71
OPRK1 P41145 2/20 0.38
SMYD3 Q9H7B4 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34

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
SCHEMBL19971808 1.00 MBOAT4 (0.71) MBOAT4OPRK1SMYD3HSP90AA1HSP90AB1
SCHEMBL18166107 1.00 MBOAT4 (0.71) MBOAT4OPRK1SMYD3HSP90AA1HSP90AB1
SCHEMBL19311928 0.96 MBOAT4 (0.76) MBOAT4OPRK1SMYD3HSP90AA1HSP90AB1
SCHEMBL16698876 0.96 MBOAT4 (0.76) MBOAT4OPRK1SMYD3HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL19971787 0.95 MBOAT4 (0.74) MBOAT4OPRK1SMYD3HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL19971786 0.95 MBOAT4 (0.74) MBOAT4OPRK1SMYD3HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL16699518 0.95 MBOAT4 (0.74) MBOAT4OPRK1SMYD3HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL16718846 0.95 MBOAT4 (0.74) MBOAT4OPRK1SMYD3HSP90AA1HSP90AB1
SCHEMBL19971843 0.88 MBOAT4 (0.81) MBOAT4OPRK1
SCHEMBL19971844 0.88 MBOAT4 (0.81) 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 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 3962/4885SMYD3 3166/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 MBOAT4 1/4885OPRK1 3962/4885SMYD3 3166/4885

“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.