SCHEMBL4002326

SCHEMBL4002326

COC1(OC)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
OPRM1 P35372 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Hydrochloric Acid SCHEMBL1930007 0.97 SIGMAR1 (0.31) SIGMAR1OPRM1
SCHEMBL29788762 0.88 SIGMAR1 (0.31) SIGMAR1
SCHEMBL5509841 0.82
Hydrochloric Acid SCHEMBL27624459 0.80 TSHR (0.31)
SCHEMBL24847108 0.78 DRD2 (0.33)
Tert-Butyl Formate SCHEMBL28268986 0.77 TDP1 (0.48)
Hydrochloric Acid SCHEMBL29896756 0.76 DRD2 (0.32)
SCHEMBL6676256 0.75
SCHEMBL78740 0.73
SCHEMBL28276506 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
CN-116354897-A Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines 华东师范大学 2023-06-30 CN disclosed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
CN-111943946-B Dihydroquinazinone carboxylic acid compound containing nitrogen heterocyclic segment and application thereof 中国医学科学院医药生物技术研究所 2022-07-01 CN disclosed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed
CN-111943946-A Dihydroquinazinone carboxylic acid compound containing nitrogen heterocyclic segment and application thereof 中国医学科学院医药生物技术研究所 2020-11-17 CN disclosed
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-05-14 US disclosed
CN-105037389-B A kind of preparation method of rifamycin nitroimidazole coupling molecule 丹诺医药(苏州)有限公司 2017-09-05 CN disclosed
CN-105037382-B Bergenin analog derivative and its preparation method and application 中国药科大学 2017-08-25 CN disclosed
CN-105037389-A Preparation method of rifamycin-nitroiminazole coupled molecule TENNOR THERAPEUTICS LTD 2015-11-11 CN disclosed
CN-1193968-A 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives NOVARTIS AG (CH) 1998-09-23 CN disclosed
EP-0861660-A1 Curative medicine for disease caused by infection of Helicobacter KANEKA CORPORATION (JP) 1998-09-02 EP disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed
EP-0070170-B1 TYLOSIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1986-02-19 EP disclosed
EP-0134054-A1 Tylosin derivatives, their preparation and pharmaceutical compositions containing them ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-03-13 EP disclosed
EP-0132895-A1 Tylosin derivatives, their preparation and pharmaceutical compositions containing them ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-02-13 EP disclosed
US-4477443-A INCREASED ANTIBIOTIC ACTIVITY Zaidan Hojin Biselbutsu Kagaku Kenkyu Kai (Microbial Chemistry Research Foundation) (JP) 1984-10-16 US disclosed
EP-0070170-A1 Tylosin derivatives, their preparation and pharmaceutical compositions containing them ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-01-19 EP disclosed
EP-0005541-A2 Substituted piperidine, morpholine or piperidone derivatives, fungicides containing these compounds, process for their preparation and their use, and the use of these compounds as fungicides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-11-28 EP 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 (3 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-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 SIGMAR1 4650/4885OPRM1 4717/4885KDM4E 4044/4885
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B SIGMAR1 3595/4885OPRM1 3701/4885KDM4E 4066/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 SIGMAR1 3905/4885OPRM1 3670/4885KDM4E 4065/4885

“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.