SCHEMBL3833018

SCHEMBL3833018

O=C(O)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 5/20 0.62
▸ OPRM1 P35372 1/20 0.58
▸ OPRD1 P41143 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ OPRL1 P41146 1/20 0.58
▸ CYP46A1 Q9Y6A2 10/20 0.56
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C8 P10632 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ AVPR1B P47901 1/20 0.51
▸ PKLR P30613 2/20 0.49

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
SCHEMBL23581415 0.87 AVPR1A (0.59) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL15537084 0.85 EPHX2 (0.53) AVPR1ACYP46A1CYP3A4EPHX2PKLR
SCHEMBL4634537 0.85 CYP46A1 (0.50) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL5993589 0.85 CYP46A1 (0.50) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL23365119 0.84 CYP46A1 (0.52) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL25410405 0.82 OPRL1 (0.48) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL5470025 0.82 AVPR1A (0.54) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL4830010 0.82 MEN1 (0.59) AVPR1AOPRM1OPRD1OPRK1OPRL1
SCHEMBL3485621 0.81 AVPR1A (0.44) AVPR1AOPRM1OPRL1CYP46A1CYP3A4
SCHEMBL8260423 0.81 MAOA (0.61) AVPR1AOPRM1OPRL1CYP46A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 — — EP claimed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 — — EP claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 — — US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 — — US claimed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 — — US claimed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 — — US claimed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 — — EP claimed
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-06-11 — — US claimed
EP-3661941-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-06-10 — — EP claimed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 — — WO claimed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 — — WO claimed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 — — CN claimed
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 — — WO claimed
US-20240279338-A1 Combination Treatment of Cancer ARES TRADING SA (CH) 2024-08-22 — — US disclosed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 — — EP disclosed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 — — EP disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 — — WO disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 — — CN disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 — — CN disclosed
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 — — 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 (6 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 AVPR1A 3685/4885OPRM1 4383/4885OPRD1 3438/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 AVPR1A 2809/4885OPRM1 3663/4885OPRD1 2720/4885
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, AMPD2 AVPR1A 1626/4885OPRM1 3746/4885OPRD1 2562/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 AVPR1A 3685/4885OPRM1 4383/4885OPRD1 3438/4885
US-20240279338-A1 Combination Treatment of Cancer CD274, PDCD1, ENTPD1 AVPR1A 3564/4885OPRM1 2984/4885OPRD1 3380/4885
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, AMPD2 AVPR1A 1626/4885OPRM1 3746/4885OPRD1 2562/4885

“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.

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