SCHEMBL136687

SCHEMBL136687

C=C1CCC(C(=O)OCC)(C(=O)OCC)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.39
OPRM1 P35372 8/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6890988 0.83 ATM (0.42) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL135585 0.82 POLB (0.43) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL15106045 0.81 ATM (0.41) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL69496 0.81 ALDH1A1 (0.46) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL18134201 0.81 ALDH1A1 (0.46) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL22280417 0.80 ATM (0.41) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL3133383 0.80 ATM (0.46) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL16639039 0.79 ATM (0.40) ATMPOLBMEN1KMT2AKDM4E
SCHEMBL17048789 0.79 ATM (0.40) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL713102 0.77 SMN1; SMN2 (0.46) ATMPOLBOPRM1SMN1; SMN2OPRD1

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
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 ATM 4299/4885POLB 4532/4885OPRM1 198/4885

“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.