SCHEMBL828470

SCHEMBL828470

CON(CCc1ccccc1)OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
AOC3 Q16853 4/20 0.54
SIGMAR1 Q99720 5/20 0.47
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALOX5 P09917 1/20 0.42

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 SCHEMBL3660923 0.98 TAAR1 (0.56) TAAR1AOC3SIGMAR1CHRM2HTR1A
SCHEMBL11808668 0.87 KCNH2 (0.57) TAAR1AOC3SIGMAR1CHRM2HTR1A
Benzoic Acid SCHEMBL8035864 0.86 LPAR1 (0.50) TAAR1ALOX5
SCHEMBL8896088 0.82 TAAR1 (0.64) TAAR1AOC3SIGMAR1CHRM2HTR1A
4-Methylbenzoic Acid SCHEMBL8025658 0.80 SRD5A2 (0.50)
SCHEMBL29371723 0.78 TAAR1 (0.61) TAAR1AOC3SIGMAR1
SCHEMBL7921601 0.77 TAAR1 (0.52) TAAR1AOC3SIGMAR1CHRM2HTR1A
SCHEMBL400749 0.76 TSHR (0.54) TAAR1AOC3SLC6A2SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL7899272 0.74 TSHR (0.52) TAAR1AOC3SLC6A2SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL10435465 0.74 TAAR1 (0.48) TAAR1AOC3SIGMAR1HTR1AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
CN-109859894-A High-strength aluminum alloy conductor for overhead transmission line 广西纵览线缆集团有限公司 2019-06-07 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
CN-106802684-B Purple sweet potato pears compound fruit vinegar fermentation monitoring system and its method of work based on MAS 徐州工程学院 2018-05-22 CN claimed
CN-106802684-A Purple potato pears compound fruit vinegar fermentation monitoring system and its method of work based on MAS 徐州工程学院 2017-06-06 CN claimed
CN-104672136-B 1-substituted phenanthryl-N-alkyl (acyl)-6, 7-dimethoxy-1, 2, 3, 4-tetrahydroisoquinoline derivative as well as preparation method and purpose thereof 沈阳药科大学 2017-01-25 CN claimed
EP-2961730-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XenoPort, Inc. (US) 2016-01-06 EP claimed
CN-104932211-A Aluminum film water system photoresistance stripping liquid in liquid crystal panel manufacture technology and preparation method thereof JIANGYIN JIANGHUA MICROELECTRONICS MATERIALS CO LTD 2015-09-23 CN claimed
CN-103965108-B A kind of method of synthesizing Laudanine ANTI-DRUG INFORMATION TECHNOLOGY CENTER OF THE MINISTRY OF PUBLIC SECURITY (CN) 2015-09-23 CN claimed
US-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2015-06-11 US claimed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 US claimed
EP-1507764-A4 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2005-06-22 EP claimed
EP-1507764-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS Yun-Choi, Hye-Sook (KR) 2005-02-23 EP claimed
WO-2003095426-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2003-11-20 WO claimed
CN-1231174-A Medicinal compositions for curing cardio-vascular diseases and benign prostatomegaly UNIV CHINA PHARMACY (CN) 1999-10-13 CN claimed
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US claimed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO claimed
EP-0130119-B1 (ACYLOXYALKOXY) CARBONYL DERIVATIVES AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES MERCK & CO. INC. (US) 1988-11-09 EP claimed
US-4760057-A (Acyloxyalkoxy)carbonyl derivatives as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1988-07-26 US claimed
EP-0130119-A2 (Acyloxyalkoxy) carbonyl derivatives as bioreversible prodrug moieties for primary and secondary amine functions in drugs, their preparation and pharmaceutical compositions containing said derivatives MERCK & CO. INC. (US) 1985-01-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA TAAR1 1519/4885AOC3 357/4885SIGMAR1 1614/4885

“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.