SCHEMBL6475308

SCHEMBL6475308

OCc1cccc(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
PDE10A Q9Y233 8/20 0.50
CXCR4 P61073 1/20 0.49
PIK3CA P42336 4/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CD O00329 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HTT P42858 1/20 0.44
TRPV3 Q8NET8 2/20 0.44
MTOR P42345 1/20 0.44
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
PIK3R1 P27986 1/20 0.43

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
SCHEMBL15537503 0.84 TRPV3 (0.57) PDE10AHRH3TRPV3
SCHEMBL1844501 0.83 PDE10A (0.50) GAAPDE10ACXCR4PIK3CAPIK3CD
SCHEMBL29227340 0.83 PDE10A (0.50) GAAPDE10ACXCR4PIK3CAPIK3CD
SCHEMBL29866072 0.83 PDE10A (0.50) GAAPDE10ACXCR4PIK3CAPIK3CD
SCHEMBL10272910 0.83 PDE10A (0.53) GAAPDE10ACXCR4HTTKLKB1
SCHEMBL1303138 0.83 PDE10A (0.50) GAAPDE10ACXCR4PIK3CAPIK3CB
SCHEMBL29907771 0.83 PDE10A (0.50) GAAPDE10ACXCR4PIK3CAPIK3CB
SCHEMBL15537495 0.83 TRPV3 (0.58) PDE10AHRH3TRPV3
SCHEMBL6843345 0.82 GAA (0.59) GAAPDE10ACXCR4PIK3CAPIK3CD
SCHEMBL22304480 0.80 ALDH1A1 (0.38) GAAPDE10ACXCR4PIK3CAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 EP disclosed
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
CN-118164951-A PROTAC strategy-based compound, and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-06-11 CN disclosed
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
EP-4079734-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-10-26 EP disclosed
CN-115066428-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-09-16 CN disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 US disclosed
EP-2886545-B1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-06-29 EP disclosed
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-06-25 US disclosed
EP-2886545-A1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2015-06-24 EP disclosed
US-7589081-B2 Nitrogen-containing monodentate phosphines and their use in catalysis DEGUSSA GMBH (DE) 2009-09-15 US disclosed
US-20070123707-A1 Nitrogen-containing monodentate phosphines and their use in catalysis DEGUSSA AG (DE) 2007-05-31 US disclosed
US-6900209-B2 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. 2005-05-31 US disclosed
US-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2004-03-04 US disclosed
WO-2002042305-A1 NITROGEN SUBSTITUTED 1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2002-05-30 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 (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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 GAA 3943/4885PDE10A 1854/4885CXCR4 517/4885
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 GAA 1788/4885PDE10A 238/4885CXCR4 1570/4885
US-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition PSEN1, BDNF, H1-5 GAA 2316/4885PDE10A 1476/4885CXCR4 1904/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 GAA 4369/4885PDE10A 1258/4885CXCR4 750/4885
US-20070123707-A1 Nitrogen-containing monodentate phosphines and their use in catalysis HDHD5, PNP, PHOSPHO1 GAA 3420/4885PDE10A 779/4885CXCR4 3610/4885
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 GAA 3943/4885PDE10A 1854/4885CXCR4 517/4885

“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.