SCHEMBL266685

SCHEMBL266685

CC(N)Cc1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 1.00
SLC6A2 P23975 3/20 0.61
SLC6A3 Q01959 2/20 0.61
TAAR1 Q96RJ0 5/20 0.59
MAOA P21397 1/20 0.59
SLC6A4 P31645 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
CYP2A6 P11509 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
CYP3A4 P08684 2/20 0.52
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
AOC3 Q16853 1/20 0.50

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
SCHEMBL14478283 1.00 PNMT (1.00) PNMTSLC6A2SLC6A3TAAR1MAOA
SCHEMBL30363681 1.00 PNMT (1.00) PNMTSLC6A2SLC6A3TAAR1MAOA
Hydrochloric Acid SCHEMBL30559514 0.98 PNMT (0.96) PNMTSLC6A2SLC6A3TAAR1MAOA
SCHEMBL4694047 0.86 PNMT (0.76) PNMTSLC6A2SLC6A3TAAR1MAOA
SCHEMBL24017152 0.85 PNMT (0.74) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL24017049 0.85 PNMT (0.74) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL777207 0.85 PNMT (0.74) PNMTSLC6A2TAAR1SLC6A4SIGMAR1
SCHEMBL13387614 0.84 TAAR1 (0.73) PNMTSLC6A2SLC6A3TAAR1MAOA
SCHEMBL24152546 0.84 TAAR1 (0.73) PNMTSLC6A2SLC6A3TAAR1MAOA
SCHEMBL1570139 0.83 PNMT (0.71) PNMTTAAR1CYP3A4IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975968-A Amine dehydrogenase mutant and application thereof in chiral amine synthesis 中国科学院天津工业生物技术研究所 2023-04-18 CN disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-9133158-B2 Bicyclic dihydroisoquinoline-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2015-09-15 US disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-8133705-B2 Aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2012-03-13 US disclosed
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2010-11-11 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1889907-B1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME KANEKA CORP (JP) 2009-09-02 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 EP disclosed
EP-0340709-A1 (3-Chloro-methyl phenyl)ethyl amines, processes for their production and their use BASF Aktiengesellschaft (DE) 1989-11-08 EP disclosed
US-4857553-A SIDE EFFECT REDUCTION A. H. ROBINS COMPANY, INCORPORATED (US) 1989-08-15 US disclosed
EP-0302757-A2 Anti-emetic serotonin depleting agents A.H. ROBINS COMPANY, INCORPORATED (US) 1989-02-08 EP disclosed
US-4025624-A Phenylalkylamines and phenylalkylureas in combinations to suppress gastric bleeding in aspirin therapy A. H. ROBINS COMPANY, INCORPORATED (US) 1977-05-24 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 (4 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PNMT 709/4885SLC6A2 2280/4885SLC6A3 2019/4885
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 PNMT 3342/4885SLC6A2 960/4885SLC6A3 1110/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP PNMT 916/4885SLC6A2 3422/4885SLC6A3 3352/4885
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them BCAT1, AGXT, ALDH7A1 PNMT 594/4885SLC6A2 1814/4885SLC6A3 1734/4885

“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.