SCHEMBL6531372

SCHEMBL6531372

CC(C)(N)COCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.56
SLC6A2 P23975 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
TACR1 P25103 3/20 0.50
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.45
CA1 P00915 4/20 0.42
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CA7 P43166 2/20 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
Hydrochloric Acid SCHEMBL5221460 0.98 KDM4E (0.59) KDM4EPOLBTSHRSLC6A2TAAR1
SCHEMBL5390546 0.98 KDM4E (0.59) KDM4EPOLBTSHRSLC6A2TAAR1
Hydrochloric Acid SCHEMBL5221456 0.96 KDM4E (0.58) KDM4EPOLBTSHRSLC6A2TAAR1
SCHEMBL29108931 0.88 KDM4E (0.61) KDM4EPOLBTSHRSLC6A2TAAR1
SCHEMBL14304175 0.85 KDM4E (0.54) KDM4EPOLBTSHRSLC6A2TAAR1
SCHEMBL21408338 0.83 KDM4E (0.78) KDM4EPOLBTSHRSLC6A2TAAR1
SCHEMBL1691827 0.83 TSHR (0.61) KDM4EPOLBTSHRSLC6A2TAAR1
SCHEMBL15663590 0.82 KDM4E (0.56) KDM4EPOLBTSHRSLC6A2TAAR1
SCHEMBL6043011 0.81 TSHR (0.58) KDM4EPOLBTSHRSLC6A2TAAR1
SCHEMBL1927581 0.80 IDO1 (0.50) KDM4EPOLBTAAR1TACR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 US disclosed
CN-111527090-B Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors 拜耳公司 2023-05-26 CN disclosed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 US disclosed
CN-109863160-B Nucleoside phosphate compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-06-07 CN disclosed
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
EP-3700907-B1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AG (DE) 2022-03-09 EP disclosed
CN-108368083-B Heteroaryl compounds and their use as therapeutic agents 东亚首希控股股份有限公司 2022-02-01 CN disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO LTD (KR) 2017-03-09 US disclosed
US-20170022167-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2017-01-26 US disclosed
US-20170022167-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2017-01-26 US disclosed
EP-3074379-A1 OPIOID AGONISTS AND USES THEREOF Nektar Therapeutics (India) Pvt. Ltd. (IN) 2016-10-05 EP disclosed
WO-2015079459-A1 OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (INDIA) PVT.LTD. (IN) 2015-06-04 WO disclosed
WO-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 WO disclosed
US-5811432-A Azaoxindole derivatives PFIZER INC (US) 1998-09-22 US disclosed
CN-1031053-C Azaoxindole derivatives PFIZER (US) 1996-02-21 CN disclosed
CN-1053065-A AZAOXINDOLE DERIVATIVES PFIZER (US) 1991-07-17 CN disclosed
EP-0436333-A2 Azaoxindole derivatives PFIZER INC. (US) 1991-07-10 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 (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-20170022167-A1 OPIOID AGONISTS AND USES THEREOF OPRM1, OPRK1, OPRD1 KDM4E 3977/4885POLB 3777/4885TSHR 608/4885
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC KDM4E 1727/4885POLB 4707/4885TSHR 1878/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC KDM4E 1727/4885POLB 4707/4885TSHR 1878/4885
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX5 KDM4E 3924/4885POLB 2313/4885TSHR 2897/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 KDM4E 3993/4885POLB 1708/4885TSHR 3113/4885
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC KDM4E 1727/4885POLB 4707/4885TSHR 1878/4885

“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.