SCHEMBL513325

SCHEMBL513325

CC(C)(C)OC(=O)N1CCC(=Cc2nc(-c3cccc(Cl)c3)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
GRM5 P41594 15/20 0.46
KMT2A Q03164 1/20 0.46
HDAC4 P56524 1/20 0.46
USP30 Q70CQ3 1/20 0.42
XPO1 O14980 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
SCHEMBL513177 0.88 HDAC4 (0.53) GRM5KMT2AHDAC4
SCHEMBL17115024 0.81 MAPT (0.56) KCNH2GRM5KMT2AHDAC4
SCHEMBL513744 0.79 GBA1 (0.51) GRM5HDAC4
SCHEMBL6293413 0.77 GRM5 (0.50) GRM5KMT2A
SCHEMBL513293 0.76 GRM5 (0.46) GRM5KMT2AHDAC4
SCHEMBL27621215 0.76 STS (0.52) GRM5KMT2AUSP30XPO1
SCHEMBL4226736 0.75 NPC1 (0.44) GRM5KMT2A
SCHEMBL513294 0.74 HTR7 (0.51) GRM5KMT2A
SCHEMBL5485886 0.73 GRM5 (0.52) GRM5
SCHEMBL514361 0.73 GRM5 (0.41) GRM5KMT2AHDAC4

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
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
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 KCNH2 498/4885GRM5 2/4885KMT2A 3004/4885

“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.