SCHEMBL18166146

SCHEMBL18166146

Cc1nc(Cl)nc(N)c1CCC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 6/20 0.46
HRH3 Q9Y5N1 2/20 0.36
SLC6A4 P31645 2/20 0.33
NMT1 P30419 3/20 0.32
HTR4 Q13639 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
SLC2A1 P11166 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
SCHEMBL20009388 0.85 MBOAT4 (0.38) MBOAT4HRH3SLC6A4TLR7
SCHEMBL18162606 0.81 MBOAT4 (0.52) MBOAT4HRH3TLR7
SCHEMBL16699454 0.80 MBOAT4 (0.52) MBOAT4HRH3SLC6A4HTR4
Hydrochloric Acid SCHEMBL18153606 0.80 MBOAT4 (0.51) MBOAT4HRH3SLC6A4TLR7
Hydrochloric Acid SCHEMBL16699451 0.79 MBOAT4 (0.51) MBOAT4HRH3SLC6A4HTR4TLR7
SCHEMBL19971824 0.77 MBOAT4 (0.57) MBOAT4
SCHEMBL19971788 0.76 MBOAT4 (0.48) MBOAT4HRH3SLC6A4HTR4
SCHEMBL18166102 0.76 MBOAT4 (0.48) MBOAT4HRH3SLC6A4HTR4
SCHEMBL16699267 0.74 MBOAT4 (0.39) MBOAT4HRH3SLC6A4HTR4TLR7
SCHEMBL19979151 0.73 MBOAT4 (0.63) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107454898-B Ghrelin O-acyltransferase inhibitors 伊莱利利公司 2020-05-05 CN disclosed
US-10227310-B2 Ghrelin 0-acyl transferase inhibitors ELI LILLY AND COMPANY (US) 2019-03-12 US disclosed
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
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY 2018-03-22 US disclosed
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY 2018-03-22 US disclosed
WO-2016168225-A1 GHRELIN O-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY (US) 2016-10-20 WO 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 4291/4885SLC6A4 1039/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 MBOAT4 1/4885HRH3 4291/4885SLC6A4 1039/4885

“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.