SCHEMBL512506

SCHEMBL512506

CC(C)(C)OC(=O)N1CCC(=Cc2coc(-c3cccs3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
GPR119 Q8TDV5 2/20 0.43
GRM5 P41594 1/20 0.43
TGFBR1 P36897 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRAMD1A Q96CP6 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL512846 0.82 KDM4E (0.46) GBA1GPR119GRM5TGFBR1HDAC1
SCHEMBL513424 0.81 LMNA (0.45) GBA1GPR119GRM5TGFBR1ALDH1A1
SCHEMBL513744 0.78 GBA1 (0.51) GBA1GPR119GRM5ALDH1A1LMNA
SCHEMBL512888 0.73 HDAC1 (0.41) HDAC1HDAC8HDAC6ALDH1A1KDM4E
SCHEMBL2246945 0.71 NPC1 (0.59) GBA1GPR119ALDH1A1MEN1CYP1A2
SCHEMBL513542 0.71 ACKR3 (0.53) GBA1GPR119GRM5CKS1BSKP1
SCHEMBL21753276 0.71 GRM5 (0.52) GPR119GRM5POLBCKS1BSKP1
SCHEMBL30118963 0.71 GRM5 (0.52) GPR119GRM5MEN1KMT2APOLB
SCHEMBL15051069 0.71 GPR119 (0.53) GPR119GRM5ALDH1A1POLBCKS1B
SCHEMBL7507003 0.70 GRM5 (0.48) GBA1GPR119GRM5KDM4EMEN1

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 GBA1 1218/4885GPR119 674/4885GRM5 2/4885

“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.