SCHEMBL16219065

SCHEMBL16219065

CC(C)C(=O)N1CCn2cc(C(=O)C3CC3)nc2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.48
HDAC6 Q9UBN7 3/20 0.40
P2RX7 Q99572 3/20 0.37
NAMPT P43490 1/20 0.34
WDR5 P61964 1/20 0.33
MET P08581 1/20 0.33
TNKS O95271 2/20 0.32
PARP1 P09874 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
SMO Q99835 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
SCHEMBL14970421 0.85 MGLL (0.44) MGLLHDAC6P2RX7NAMPTSMO
SCHEMBL5276608 0.79 MGLL (0.44) MGLLHDAC6
SCHEMBL22916873 0.78 MGLL (0.45) MGLLHDAC6P2RX7MET
SCHEMBL16219062 0.78 P2RX7 (0.53) MGLLHDAC6P2RX7MET
SCHEMBL20332081 0.73 MGLL (0.47) MGLLHDAC6P2RX7NAMPT
SCHEMBL5497175 0.72 DPP4 (0.63)
SCHEMBL10674320 0.68 MGLL (0.47) MGLLHDAC6P2RX7NAMPTSMO
SCHEMBL16219046 0.68 SCD (0.46) MGLLP2RX7NAMPTMET
SCHEMBL16219018 0.68 DPP4 (0.49) MGLLNAMPTMETPARP1
SCHEMBL23011668 0.67 MGLL (0.42) MGLLHDAC6P2RX7

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 MGLL 758/4885HDAC6 3582/4885P2RX7 523/4885

“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.