SCHEMBL19971864

SCHEMBL19971864

Cc1nc(N)c(C#CC2=CCCN(C(=O)OC(C)(C)C)CC2)c(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.46
POLB P06746 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
TNK2 Q07912 2/20 0.36
NR1H2 P55055 1/20 0.35
MAP4K4 O95819 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
PTPN11 Q06124 1/20 0.35
ADK P55263 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
GRM1 Q13255 2/20 0.33
BTK Q06187 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL19971867 0.86 GRM5 (0.31) GRM5
SCHEMBL30603872 0.83 GRM5 (0.55) GRM5POLBGPR119TNK2NR1H2
SCHEMBL22476344 0.83 GRM5 (0.55) GRM5POLBGPR119TNK2NR1H2
SCHEMBL16698699 0.78 GPR119 (0.42) POLBGPR119MEN1KMT2A
SCHEMBL22476353 0.75 GRM5 (0.53) GRM5POLBTNK2NR1H2ESR2
SCHEMBL15894090 0.68 USP2 (0.47) GRM5GPR119NR1H2MEN1KMT2A
SCHEMBL29110609 0.68 GRM5 (0.37) GRM5
SCHEMBL13496714 0.67 USP2 (0.46) GRM5POLBGPR119NR1H2MEN1
SCHEMBL20009390 0.67 GPR119 (0.44) GPR119
SCHEMBL16699034 0.66 MBOAT4 (0.63) GPR119

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 6 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

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 GRM5 1507/4885POLB 4823/4885GPR119 18/4885
US-20180079729-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 GRM5 1507/4885POLB 4823/4885GPR119 18/4885

“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.