SCHEMBL4575618

SCHEMBL4575618

Cc1cc2c(cc1C)CNCC2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ASIC3 Q9UHC3 1/20 0.50
CD44 P16070 1/20 0.48
MAOB P27338 1/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47

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
SCHEMBL11742860 0.87 ADCY6 (0.56) PNMTASIC3CD44MAOBDRD2
SCHEMBL30098006 0.86 PNMT (0.52) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL21475687 0.86 ADCY6 (0.57) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL25557986 0.86 PNMT (0.47) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL18577020 0.86 PNMT (0.52) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL20909780 0.86 PNMT (0.52) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL20909783 0.86 PNMT (0.52) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL20909790 0.86 PNMT (0.47) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL14116965 0.86 PNMT (0.47) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL25559173 0.86 PNMT (0.47) PNMTADRA2AADRA2BADRA2CASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4543354-A Anti-hypertensive 9-aminomethyl-benzo[f]quinoline-3,10-dione derivatives YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1985-09-24 US claimed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 US disclosed
US-20220154232-A1 Benzylisoquinoline Alkaloids (BIA) Producing Microbes, and Methods of Making and Using the Same HERCULES CAPITAL, INC., AS AGENT 2022-05-19 US disclosed
CN-113980826-A Microorganisms producing benzylisoquinoline alkaloids and methods of making and using the same 小利兰·斯坦福大学托管委员会 2022-01-28 CN disclosed
US-11214819-B2 Benzylisoquinoline alkaloids (BIA) producing microbes, and methods of making and using the same THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-01-04 US disclosed
US-20210363128-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-11-25 US disclosed
CN-105247038-B Microorganisms that produce benzylisoquinoline alkaloids (BIAs) and methods of making and using the same 小利兰·斯坦福大学托管委员会 2021-08-27 CN disclosed
EP-3865580-A1 BENZYLISOQUINOLINE ALKALOIDS (BIA) PRODUCING MICROBES, AND METHODS OF MAKING AND USING THE SAME The Board of Trustees of the Leland Stanford Junior University (US) 2021-08-18 EP disclosed
US-8940908-B2 Method for preparing tetrazole methanesulfonic acid salts, and novel compound used in same HANMI SCIENCE CO., LTD (KR) 2015-01-27 US disclosed
WO-2014143744-A2 BENZYLISOQUINOLINE ALKALOIDS (BIA) PRODUCING MICROBES, AND METHODS OF MAKING AND USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-09-18 WO disclosed
US-20140273109-A1 BENZYLISOQUINOLINE ALKALOIDS (BIA) PRODUCING MICROBES, AND METHODS OF MAKING AND USING THE SAME HERCULES CAPITAL, INC., AS AGENT 2014-09-18 US disclosed
US-20140148602-A1 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME HANMI SCIENCE CO., LTD (KR) 2014-05-29 US disclosed
US-8680277-B2 Method for preparing tetrazole methanesulfonic acid salts, and novel compound used in same HANMI SCIENCE CO., LTD (KR) 2014-03-25 US disclosed
US-20130197227-A1 METHOD OF PREPARING TETRABENAZINE AND DIHYDROTETRABENAZINE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-08-01 US disclosed
US-20120330020-A1 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME HANMI SCIENCE CO., LTD (KR) 2012-12-27 US disclosed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 WO disclosed
US-20080176754-A1 COMPOSITIONS AND METHODS FOR PRODUCING BENZYLISOQUINOLINE ALKALOIDS HERCULES CAPITAL, INC., AS AGENT 2008-07-24 US disclosed
WO-2008067070-A2 COMPOSITIONS AND METHODS FOR PRODUCING BENZYLISOQUINOLINES ALKALOIDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-06-05 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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC PNMT 1339/4885ADRA2A 3705/4885ADRA2B 3748/4885
US-20130197227-A1 METHOD OF PREPARING TETRABENAZINE AND DIHYDROTETRABENAZINE TET1, TET3, DNMT1 PNMT 86/4885ADRA2A 827/4885ADRA2B 246/4885
US-20140148602-A1 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME TST, MPST, STS PNMT 2060/4885ADRA2A 4362/4885ADRA2B 4040/4885
US-20210363128-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, MYC, YES1 PNMT 1280/4885ADRA2A 3763/4885ADRA2B 3814/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 PNMT 3528/4885ADRA2A 3895/4885ADRA2B 3806/4885
US-20120330020-A1 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME TST, MPST, STS PNMT 2095/4885ADRA2A 4371/4885ADRA2B 4139/4885

“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.