SCHEMBL18166203

SCHEMBL18166203

COc1ccccc1C(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(C)nc(Cl)nc2N)CC1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 12/20 0.80
P2RY12 Q9H244 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.38
APOBEC3A P31941 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL19971804 1.00 MBOAT4 (0.80) MBOAT4P2RY12HRH3CDK1CDK4
SCHEMBL18166206 0.90 MBOAT4 (0.74) MBOAT4P2RY12HRH3CDK1CDK4
SCHEMBL19971831 0.90 MBOAT4 (0.74) MBOAT4P2RY12HRH3CDK1CDK4
SCHEMBL18162648 0.89 MBOAT4 (1.00) MBOAT4P2RY12HRH3CDK1CDK4
SCHEMBL19991517 0.89 MBOAT4 (1.00) MBOAT4P2RY12HRH3CDK1CDK4
SCHEMBL19971861 0.87 MBOAT4 (0.74) MBOAT4P2RY12HRH3CDK1CDK4
SCHEMBL18166169 0.87 MBOAT4 (0.74) MBOAT4P2RY12HRH3CDK1CDK4
SCHEMBL19971817 0.86 MBOAT4 (0.68) MBOAT4HRH3ITGB3ITGA2B
SCHEMBL19971818 0.86 MBOAT4 (0.68) MBOAT4HRH3ITGB3ITGA2B
SCHEMBL18166195 0.84 MBOAT4 (0.64) MBOAT4HRH3ITGB3ITGA2B

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 5 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-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
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 1/4885P2RY12 4577/4885HRH3 4291/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 MBOAT4 1/4885P2RY12 4577/4885HRH3 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.