SCHEMBL20009390

SCHEMBL20009390

Cc1nc(C)c(C#CC2CCN(C(=O)OC(C)(C)C)CC2)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.38
DPP4 P27487 1/20 0.37
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 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
SCHEMBL18166161 0.89 MAPT (0.40) GPR119KDM4EMAPTTHRBHPGD
SCHEMBL16698699 0.89 GPR119 (0.42) GPR119KDM4EMAPTTHRBHPGD
SCHEMBL18153613 0.87 MBOAT4 (0.39) GPR119KDM4EMAPTTHRBHPGD
SCHEMBL16049455 0.76 MAP4K4 (0.44) GPR119KDM4EMAPTTHRB
SCHEMBL25258371 0.75 GPR119 (0.44) GPR119MAPT
SCHEMBL20839829 0.75 GPR119 (0.44) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL29774310 0.75 GPR119 (0.44) GPR119KDM4EMAPTTHRBPTPN2
SCHEMBL22776493 0.75 GPR119 (0.45) GPR119KDM4E
SCHEMBL20009391 0.74 MBOAT4 (0.50) GPR119KDM4EDPP4
SCHEMBL16040735 0.74 GPR119 (0.40) GPR119KDM4EMAPTTHRBHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086732-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY 2018-03-29 US disclosed
US-20180086732-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS ELI LILLY AND COMPANY 2018-03-29 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-20180086732-A1 GHRELIN 0-ACYL TRANSFERASE INHIBITORS MBOAT4, GIPR, PLAAT2 GPR119 18/4885KDM4E 961/4885MAPT 1378/4885

“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.