SCHEMBL512857

SCHEMBL512857

CC(C)(C)OC(=O)N1CCC(=Cc2cn(-c3ccccc3)nn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 9/20 0.61
GRM5 P41594 9/20 0.61
GPR119 Q8TDV5 7/20 0.51
NPC1 O15118 1/20 0.44
P2RX7 Q99572 1/20 0.43
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL12975585 0.79 GRM1 (0.60) GRM1GRM5GPR119HTTATM
SCHEMBL1473227 0.78 GPR119 (0.51) GRM1GRM5GPR119
SCHEMBL15051069 0.78 GPR119 (0.53) GRM1GRM5GPR119NPC1
SCHEMBL513799 0.78 GPR119 (0.47) GRM1GRM5GPR119
SCHEMBL8614193 0.76 GRM1 (0.60) GRM1GRM5GPR119
SCHEMBL8614176 0.76 GRM1 (1.00) GRM1GRM5GPR119
SCHEMBL30118966 0.76 GRM5 (0.49) GRM1GRM5GPR119
SCHEMBL7507003 0.75 GRM5 (0.48) GRM5GPR119HTT
SCHEMBL15057408 0.74 GPR119 (0.47) GRM1GRM5GPR119
SCHEMBL18280165 0.74 USP30 (0.47) GRM5GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 GRM1 6/4885GRM5 2/4885GPR119 674/4885

“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.