SCHEMBL717840

SCHEMBL717840

O=[N+]([O-])c1ccc2c(c1)CCNCC2

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.81
ADRA2A P08913 4/20 0.81
HTR2C P28335 5/20 0.49
HTR2B P41595 5/20 0.49
HTR2A P28223 2/20 0.49
TDP2 O95551 1/20 0.49
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TLR9 Q9NR96 1/20 0.47
GRIN2B Q13224 1/20 0.47
ADRB1 P08588 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46

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 SCHEMBL1947220 0.98 PNMT (0.78) PNMTADRA2AHTR2CHTR2BHTR2A
Nitric Acid SCHEMBL521643 0.95 PNMT (0.73) PNMTADRA2AHTR2CHTR2BHTR2A
SCHEMBL1269277 0.89 PNMT (0.87) PNMTADRA2ATDP2ADRA2BADRA2C
SCHEMBL29382023 0.89 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
SCHEMBL324460 0.89 PNMT (1.00) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL27698594 0.88 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL325622 0.88 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29651180 0.88 PNMT (0.97) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL10004303 0.88 PNMT (0.84) PNMTADRA2ATDP2ADRA2BADRA2C
SCHEMBL30875703 0.86 PNMT (0.71) PNMTADRA2AHTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US claimed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 WO claimed
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 CN disclosed
CN-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 CN disclosed
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 US disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
CN-113754635-B Condensed ring compound and preparation method and application thereof 成都康弘药业集团股份有限公司 2024-06-21 CN disclosed
US-20240174631-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FGF ACTIVITY RECOVERY THERAPEUTICS, INC. 2024-05-30 US disclosed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 US disclosed
EP-4291177-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FGF ACTIVITY Recovery Therapeutics, Inc. (US) 2023-12-20 EP disclosed
CN-116888127-A Tri-fused ring HPK1 inhibitor and application thereof 轩竹生物科技股份有限公司 2023-10-13 CN disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed
EP-0285323-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1990-11-28 EP disclosed
EP-0284384-B1 ANTI-ARRHYTHMIC AGENTS Pfizer Limited (GB) 1990-11-28 EP disclosed
US-4891372-A Antiarrhythmic agents, compositions and method of use thereas PFIZER INC. (US) 1990-01-02 US disclosed
US-4822793-A Benzazepine antiarrhythmic agents PFIZER INC. (US) 1989-04-18 US disclosed
EP-0285323-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-10-05 EP disclosed
EP-0284384-A1 Anti-arrhythmic agents Pfizer Limited (GB) 1988-09-28 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 (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-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 PNMT 1178/4885ADRA2A 2563/4885HTR2C 2712/4885
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 PNMT 315/4885ADRA2A 197/4885HTR2C 253/4885
US-20240174631-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FGF ACTIVITY FGF1, FGF2, FGFR1 PNMT 4852/4885ADRA2A 2362/4885HTR2C 1517/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 PNMT 1190/4885ADRA2A 2544/4885HTR2C 2742/4885

“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.