SCHEMBL14970437

SCHEMBL14970437

CC(=O)N1CCn2ncnc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
NOTUM Q6P988 3/20 0.44
MYT1 Q01538 3/20 0.42
CREBBP Q92793 1/20 0.37
CDK1 P06493 1/20 0.37
WEE1 P30291 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CLK1 P49759 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL19722714 0.83 DPP4 (0.46) DPP4NOTUMMYT1CDK1WEE1
SCHEMBL12821118 0.82 DPP4 (0.52) DPP4NOTUMMYT1CREBBPCDK1
SCHEMBL16219027 0.82 DPP4 (0.49) DPP4NOTUMMYT1CDK1WEE1
SCHEMBL19154061 0.81 DPP4 (0.51) DPP4NOTUMMYT1OPRM1OPRL1
SCHEMBL15490060 0.79 DPP4 (0.58) DPP4NOTUMMEN1KMT2AATM
SCHEMBL9944479 0.79 DPP4 (0.49) DPP4NOTUMMYT1CDK1WEE1
SCHEMBL20866529 0.76 DPP4 (0.47) DPP4NOTUMMYT1CDK1WEE1
SCHEMBL19111017 0.76 DPP4 (0.50) DPP4NOTUMMYT1CDK1WEE1
SCHEMBL22540345 0.74 DPP4 (0.40) DPP4NOTUMMYT1CDK1WEE1
SCHEMBL12332203 0.72 SCD (0.49) NOTUMMYT1CDK1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
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
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO 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 DPP4 620/4885NOTUM 3650/4885MYT1 2749/4885

“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.