SCHEMBL16219081

SCHEMBL16219081

CC(C)C(=O)N1CCc2nccnc2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.40
F12 P00748 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 1/20 0.38
MYT1 Q01538 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
SLC6A15 Q9H2J7 1/20 0.37
ACE P12821 1/20 0.36
MET P08581 1/20 0.36
MAP4K4 O95819 1/20 0.36
NAMPT P43490 4/20 0.35
OGA O60502 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL22224502 0.88 DPP8 (0.44) F12TSHRSMN1; SMN2DPP8DPP9
SCHEMBL7258756 0.81 NOTUM (0.47) TSHRCDK1MYT1OGA
SCHEMBL16219042 0.80 DPP8 (0.53) DPP8DPP9SLC6A15ACENAMPT
SCHEMBL16219070 0.80 DPP8 (0.53) DPP8DPP9SLC6A15ACENAMPT
SCHEMBL15490058 0.80 PDE10A (0.42) SLC6A15NAMPT
SCHEMBL15492439 0.77 NPC1 (0.48) GPR6F12TSHRCDK1MYT1
SCHEMBL23309164 0.75 MMP9 (0.49) GPR6F12TSHRSMN1; SMN2SLC6A15
SCHEMBL16219030 0.75 MAPK1 (0.48) GPR6F12ACEMETNAMPT
SCHEMBL1016251 0.74 HTT (0.48) SMN1; SMN2
SCHEMBL16219026 0.74 NAMPT (0.41) F12ACENAMPT

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-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 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-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR GPR6 25/4885F12 4478/4885TSHR 491/4885

“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.