SCHEMBL7258756

SCHEMBL7258756

CC(=O)N1CCc2nccnc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
GRM5 P41594 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OGA O60502 2/20 0.41
ENPP2 Q13822 1/20 0.41
CDK1 P06493 1/20 0.40
MYT1 Q01538 1/20 0.40
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
TSHR P16473 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 2/20 0.37
BPTF Q12830 1/20 0.37
USP2 O75604 1/20 0.37
HIF1A Q16665 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
SCHEMBL19274016 0.86 NOTUM (0.48) NOTUMMEN1KMT2ACDK1MYT1
SCHEMBL15492439 0.81 NPC1 (0.48) GRM5MEN1KMT2ACDK1MYT1
SCHEMBL16219081 0.81 GPR6 (0.40) OGACDK1MYT1TSHR
SCHEMBL6949921 0.78 NOTUM (0.61) NOTUMGRM5ENPP2PTAFR
SCHEMBL3438654 0.78 NOTUM (0.61) NOTUMGRM5ENPP2PTAFR
SCHEMBL1016251 0.78 HTT (0.48) GRM5ALDH1A1HPGDLMNAMAPT
SCHEMBL11066757 0.77 PIK3R1 (0.42) NOTUMGRM5OGAENPP2BAZ2B
SCHEMBL15490058 0.77 PDE10A (0.42) MEN1KMT2AALDH1A1CYP2C9
SCHEMBL10224448 0.77 ENPP2 (0.42) NOTUMGRM5MEN1KMT2AOGA
SCHEMBL10224440 0.73 ENPP2 (0.41) NOTUMGRM5MEN1KMT2AENPP2

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
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
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 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 NOTUM 3650/4885GRM5 313/4885MEN1 3858/4885

“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.