SCHEMBL18166161

SCHEMBL18166161

Cc1nc(Cl)nc(N)c1C#CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
GPR119 Q8TDV5 8/20 0.38
HPGD P15428 1/20 0.37
STS P08842 3/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL20009390 0.89 GPR119 (0.44) MAPTKDM4ETHRBGPR119HPGD
SCHEMBL18153613 0.85 MBOAT4 (0.39) MAPTKDM4ETHRBGPR119HPGD
SCHEMBL16698699 0.85 GPR119 (0.42) MAPTKDM4ETHRBGPR119HPGD
SCHEMBL19971816 0.84 MBOAT4 (0.33)
SCHEMBL16078096 0.82 MAP4K4 (0.44) MAPTKDM4ETHRBGPR119
SCHEMBL16049455 0.79 MAP4K4 (0.44) MAPTKDM4ETHRBGPR119STS
SCHEMBL25258371 0.78 GPR119 (0.44) MAPTGPR119STSNPC1ALDH1A1
SCHEMBL16040735 0.76 GPR119 (0.40) MAPTKDM4ETHRBGPR119HPGD
SCHEMBL30785450 0.76 GPR119 (0.42) GPR119HPGDSTS
SCHEMBL30785488 0.76 GPR119 (0.42) GPR119HPGD

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 MAPT 1378/4885KDM4E 961/4885THRB 137/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 MAPT 1378/4885KDM4E 961/4885THRB 137/4885

“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.