SCHEMBL19979146

SCHEMBL19979146

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 10/20 0.59
HRH3 Q9Y5N1 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
NCF1 P14598 1/20 0.35
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.33
KMT2A Q03164 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
SCHEMBL19979147 0.83 MBOAT4 (0.46) MBOAT4HRH3HRH4NCF1ACHE
SCHEMBL16699213 0.83 MBOAT4 (0.69) MBOAT4
SCHEMBL16699454 0.82 MBOAT4 (0.52) MBOAT4HRH3HTR4
SCHEMBL18166114 0.81 MBOAT4 (0.66) MBOAT4
Hydrochloric Acid SCHEMBL16699451 0.81 MBOAT4 (0.51) MBOAT4HRH3HTR4
SCHEMBL16728368 0.80 MBOAT4 (0.77) MBOAT4
SCHEMBL16698876 0.80 MBOAT4 (0.76) MBOAT4
SCHEMBL19971821 0.80 MBOAT4 (0.64) MBOAT4
SCHEMBL19311928 0.80 MBOAT4 (0.76) MBOAT4
SCHEMBL19971822 0.80 MBOAT4 (0.64) 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 1/4885HRH3 4291/4885HRH4 3601/4885

“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.