SCHEMBL14970403

SCHEMBL14970403

CC(=O)N1CCc2oc(C)nc2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.42
NOTUM Q6P988 1/20 0.39
SHMT2 P34897 1/20 0.36
KCNH2 Q12809 3/20 0.36
HTR6 P50406 1/20 0.34
ENPP2 Q13822 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
BAZ2B Q9UIF8 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
SCHEMBL14970359 0.87 NOTUM (0.39) GRM5NOTUMSHMT2KCNH2ENPP2
SCHEMBL19722712 0.86 GRM5 (0.41) GRM5KCNH2
SCHEMBL15492371 0.83 GRM5 (0.47) GRM5KCNH2EP300CREBBP
SCHEMBL16219076 0.83 JAK2 (0.41) GRM5KCNH2
SCHEMBL13195584 0.82 GRM5 (0.46) GRM5KCNH2
SCHEMBL15490067 0.80 GRM5 (0.45) GRM5
SCHEMBL14970420 0.79 DPP4 (0.49) GRM5NOTUMKCNH2ENPP2
SCHEMBL3665854 0.75 GRM5 (0.45) GRM5KCNH2
SCHEMBL3615912 0.75 GRM5 (0.35) GRM5
SCHEMBL17377166 0.73 DHFR (0.49) GRM5

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 3 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

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 GRM5 313/4885NOTUM 3650/4885SHMT2 2218/4885

“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.