SCHEMBL512846

SCHEMBL512846

CC(C)(C)OC(=O)N1CCC(=Cc2nnc(-c3cccs3)o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
GBA1 P04062 1/20 0.46
GPR119 Q8TDV5 2/20 0.44
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
GRM5 P41594 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TGFBR1 P36897 1/20 0.41
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40

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
SCHEMBL512506 0.82 GBA1 (0.46) KDM4EALDH1A1GBA1GPR119GRM5
SCHEMBL513744 0.82 GBA1 (0.51) ALDH1A1GBA1GPR119GRM5NPC1
SCHEMBL513424 0.79 LMNA (0.45) ALDH1A1GBA1GPR119GRM5NPC1
SCHEMBL28975837 0.77 GPR119 (0.52) KDM4EALDH1A1GBA1GPR119CTSL
SCHEMBL28975863 0.75 GPR119 (0.51) KDM4EALDH1A1GBA1GPR119CTSL
SCHEMBL21723194 0.72 GRM5 (0.43) GPR119GRM5HPGDSMN1; SMN2RECQL
SCHEMBL513857 0.71 KDM4E (0.51) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL15690346 0.71 GRM5 (0.44) GPR119GRM5HPGDSMN1; SMN2MEN1
SCHEMBL2246945 0.71 NPC1 (0.59) ALDH1A1GBA1GPR119NPC1RAB9A
SCHEMBL1473227 0.70 GPR119 (0.51) KDM4EGPR119GRM5PKMTSHR

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 KDM4E 3490/4885ALDH1A1 2610/4885GBA1 1218/4885

“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.