SCHEMBL16219062

SCHEMBL16219062

Cc1cn2c(n1)CN(C(=O)C(C)C)CC2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.53
MGLL Q99685 1/20 0.45
GSK3B P49841 2/20 0.43
DYRK1A Q13627 2/20 0.43
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
MET P08581 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL22916873 0.85 MGLL (0.45) P2RX7MGLLMAPTHDAC6MET
SCHEMBL21423631 0.83 P2RX7 (0.56) P2RX7MGLLGSK3BDYRK1AMAPT
SCHEMBL12208887 0.79 P2RX7 (0.53) P2RX7GSK3BDYRK1AMAPTHDAC6
SCHEMBL25976627 0.79 P2RX7 (0.53) P2RX7GSK3BDYRK1AHDAC6
SCHEMBL16219065 0.78 MGLL (0.48) P2RX7MGLLHDAC6MET
SCHEMBL5787821 0.78 P2RX7 (0.45) P2RX7MGLLGSK3BDYRK1AHDAC6
SCHEMBL16219018 0.74 DPP4 (0.49) MGLLMET
SCHEMBL16219046 0.74 SCD (0.46) P2RX7MGLLGSK3BDYRK1AMET
SCHEMBL12284031 0.73 P2RX7 (0.54) P2RX7GSK3BDYRK1AHDAC6CNR1
SCHEMBL23011668 0.73 MGLL (0.42) P2RX7MGLLHDAC6

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 P2RX7 523/4885MGLL 758/4885GSK3B 3677/4885

“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.