SCHEMBL29980665

SCHEMBL29980665

OC1(c2ccccn2)CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.57
OPRD1 P41143 2/20 0.57
OPRK1 P41145 2/20 0.57
OPRL1 P41146 2/20 0.57
GRIN2B Q13224 2/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
CCR1 P32246 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
HSD11B1 P28845 2/20 0.40
SLC6A2 P23975 1/20 0.40
CNR2 P34972 1/20 0.39
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL536677 1.00 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL29980976 0.96 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL537135 0.96 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL31221485 0.94 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL765328 0.94 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL4064144 0.94 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL24455261 0.91 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL2265705 0.84 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL171507 0.82 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL536557 0.82 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1GRIN2B

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-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS LIGAND UK DEVELOPMENT LIMITED (GB) 2023-03-30 US disclosed
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2022-10-11 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 (2 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-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 OPRM1 376/4885OPRD1 244/4885OPRK1 152/4885
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 OPRM1 376/4885OPRD1 244/4885OPRK1 152/4885

“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.