SCHEMBL19979147

SCHEMBL19979147

Cc1nc(N)c(CCC2CCN(C)CC2)c(O)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.46
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
NCF1 P14598 1/20 0.39
ADAMTS4 O75173 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL16718693 0.86 MBOAT4 (0.44) MBOAT4HRH4
SCHEMBL16699688 0.84 MBOAT4 (0.53) MBOAT4
SCHEMBL19979146 0.83 MBOAT4 (0.59) MBOAT4HRH4HRH3NCF1ACHE
SCHEMBL16699845 0.80 MBOAT4 (0.49) MBOAT4
SCHEMBL18166114 0.69 MBOAT4 (0.66) MBOAT4
SCHEMBL20009392 0.69 MBOAT4 (0.60) MBOAT4
SCHEMBL19971821 0.67 MBOAT4 (0.64) MBOAT4
SCHEMBL20009388 0.67 MBOAT4 (0.38) MBOAT4HRH3
Hydrochloric Acid SCHEMBL16699518 0.66 MBOAT4 (0.74) MBOAT4
Hydrochloric Acid SCHEMBL19971786 0.66 MBOAT4 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 MBOAT4 1/4885HRH4 3601/4885HRH3 4291/4885

“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.