SCHEMBL1978050

SCHEMBL1978050

O=C(O)C1CCN(C2CCOCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
HRH3 Q9Y5N1 16/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21036096 0.90 ALDH1A1 (0.49) TSHRHRH3LMNAALDH1A1KDM4E
SCHEMBL16695128 0.90 ALDH1A1 (0.49) TSHRHRH3LMNAALDH1A1KDM4E
SCHEMBL28453533 0.89 TSHR (0.46) TSHRHRH3LMNAKDM4E
SCHEMBL28442543 0.89 TSHR (0.46) TSHRHRH3LMNAKDM4E
SCHEMBL1978680 0.85 ALDH1A1 (0.44) TSHRLMNAALDH1A1KDM4E
SCHEMBL13291086 0.84 TSHR (0.53) TSHRHRH3LMNAALDH1A1KDM4E
SCHEMBL13905847 0.83 TSHR (0.43) TSHRHRH3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL23293911 0.83 ALDH1A1 (0.47) TSHRLMNAALDH1A1KDM4E
SCHEMBL3331020 0.82 HRH3 (0.43) HRH3LMNA
SCHEMBL6107526 0.82 HRH3 (0.43) HRH3LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843890-B Application of triazolopyrimidine, triazolopyridine compound and composition thereof in treating PRC 2-mediated diseases 中国科学院上海药物研究所 2022-03-29 CN disclosed
US-11013745-B2 Triazolopyrimidine, triazolopyridine compounds, and the composition thereof for treating PRC2-mediated diseases SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-25 US disclosed
US-20200261459-A1 TRIAZOLOPYRIMIDINE, TRIAZOLOPYRIDINE COMPOUNDS, AND THE COMPOSITION THEREOF FOR TREATING PRC2-MEDIATED DISEASES SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-08-20 US disclosed
EP-3689875-A1 USE OF TRIAZOLOPYRIMIDINE, TRIAZOLOPYRIDINE COMPOUNDS AND COMPOSITION THEREOF FOR TREATING PRC2-MEDIATED DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-08-05 EP disclosed
WO-2019062435-A1 USE OF TRIAZOLOPYRIMIDINE, TRIAZOLOPYRIDINE COMPOUNDS AND COMPOSITION THEREOF FOR TREATING PRC2-MEDIATED DISEASES 中国科学院上海药物研究所 2019-04-04 WO disclosed
US-9636335-B2 Heteroaryl compounds as 5-HT4 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2017-05-02 US disclosed
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
US-20150283125-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-08 US disclosed
US-9079894-B2 Heteroaryl compounds as 5-HT4 receptor ligands SUVEN LIFE SCIENCES LTD (IN) 2015-07-14 US disclosed
EP-2758394-B1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-02-18 EP disclosed
US-20140187581-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-07-03 US disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-20130184249-A1 PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-18 US disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (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-20110144081-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 TSHR 587/4885HRH3 201/4885LMNA 4722/4885
US-20200261459-A1 TRIAZOLOPYRIMIDINE, TRIAZOLOPYRIDINE COMPOUNDS, AND THE COMPOSITION THEREOF FOR TREATING PRC2-MEDIATED DISEASES EED, EZH2, SUZ12 TSHR 4355/4885HRH3 1426/4885LMNA 4378/4885
US-11013745-B2 Triazolopyrimidine, triazolopyridine compounds, and the composition thereof for treating PRC2-mediated diseases EED, EZH2, SUZ12 TSHR 4355/4885HRH3 1426/4885LMNA 4378/4885
US-20150283125-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS HTR4, HTR5A, HTR2C TSHR 200/4885HRH3 216/4885LMNA 4689/4885
US-20140187581-A1 HETEROARYL COMPOUNDS AS 5-HT4 RECEPTOR LIGANDS HTR4, HTR5A, HTR2C TSHR 200/4885HRH3 216/4885LMNA 4689/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 TSHR 587/4885HRH3 201/4885LMNA 4722/4885

“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.