SCHEMBL134018

SCHEMBL134018

C(#Cc1ccccc1)C1=NOC2(CCNCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 2/20 0.33
GRM5 P41594 8/20 0.33
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CETP P11597 1/20 0.32
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL142372 0.92 HTR2A (0.35) APPOPRM1GRM5
SCHEMBL141553 0.85 APP (0.38) APPGRM5MAPT
SCHEMBL135527 0.84 GRM5 (0.38) GRM5
SCHEMBL137567 0.81 MEN1 (0.37) APPGRM5MEN1CYP2C9KMT2A
SCHEMBL137892 0.80 GRM5 (0.33) APPGRM5ALDH1A1
SCHEMBL138078 0.78 APP (0.32) APPGRM5
SCHEMBL139244 0.77 GRM5 (0.38) GRM5
SCHEMBL137073 0.77 GRM5 (0.36) GRM5
SCHEMBL134877 0.75 GRM5 (0.36) GRM5DRD2
SCHEMBL136334 0.73 GRM5 (0.37) GRM5TSHRMAPT

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
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 APP 3618/4885OPRM1 198/4885OPRD1 182/4885

“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.