SCHEMBL536557

SCHEMBL536557

OC1(c2ccccn2)CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
CCR1 P32246 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
VNN1 O95497 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL24455261 0.86 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL29980976 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL29980665 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL537135 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL536677 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL30947590 0.81 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL23166449 0.81 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL4064144 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL765328 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL31221485 0.81 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1CCR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024186915-A1 DUAL-TARGET MU OPIOID AND DOPAMINE D3 RECEPTORS LIGANDS PREPARATION AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-09-12 WO disclosed
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
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2021-04-22 US disclosed
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-12-29 US disclosed
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2020-06-04 US disclosed
US-10538526-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-01-21 US disclosed
US-20190031668-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2019-01-31 US disclosed
US-10106547-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2018-10-23 US disclosed
US-20170342081-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2017-11-30 US disclosed
US-20150291602-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2015-10-15 US disclosed
US-8987279-B2 Triazolo [4, 5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2015-03-24 US disclosed
CN-102076692-B Triazolo [4,5-D ] pyrimidine derivatives and their use as purine receptor antagonists VERNALIS RESEARCH LTD. (GB) 2014-10-22 CN disclosed
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2013-09-19 US disclosed
US-8450328-B2 Triazolo[4,5-D]pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2013-05-28 US disclosed
EP-2321321-B1 TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS R&D LTD (GB) 2012-02-08 EP disclosed
US-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED 2011-07-14 US disclosed
CN-102076692-A Triazolo [4,5-D ] pyrimidine derivatives and their use as purine receptor antagonists VERNALIS R&D LTD 2011-05-25 CN disclosed
EP-2321321-A1 TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS Vernalis (R&D) Limited (GB) 2011-05-18 EP disclosed
WO-2009156737-A1 TRIAZOLO [4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2009-12-30 WO 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 (12 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-10106547-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-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 OPRM1 376/4885OPRD1 244/4885OPRK1 152/4885
US-20170342081-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 OPRM1 376/4885OPRD1 244/4885OPRK1 152/4885
US-20190031668-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 OPRM1 376/4885OPRD1 244/4885OPRK1 152/4885
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 OPRM1 400/4885OPRD1 256/4885OPRK1 165/4885
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 OPRM1 376/4885OPRD1 244/4885OPRK1 152/4885
US-10538526-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-20150291602-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 OPRM1 400/4885OPRD1 256/4885OPRK1 165/4885
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 OPRM1 376/4885OPRD1 244/4885OPRK1 152/4885
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
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 OPRM1 400/4885OPRD1 256/4885OPRK1 165/4885

“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.