SCHEMBL467557

SCHEMBL467557

O=[N+]([O-])c1ccc2c(c1)CCCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.59
ADRA2A P08913 3/20 0.59
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
TLR9 Q9NR96 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
GRIN2B Q13224 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TDP2 O95551 1/20 0.47
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL2083495 0.98 PNMT (0.61) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL1715396 0.94 PNMT (0.61) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL30709850 0.90 PNMT (0.65) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL9483063 0.90 PNMT (0.65) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL467503 0.82 PNMT (0.57) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL2246184 0.82 PTPRC (0.50) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL3814176 0.82 PTPRC (0.50) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL29119402 0.81 LMNA (0.50) PNMTADRA2ARAB9ALMNANPC1
SCHEMBL8899725 0.81 ADRA2A (0.44) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL2061267 0.81 PNMT (0.56) PNMTADRA2AMEN1KMT2AMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 US disclosed
US-8207160-B2 Tetrahydrobenzazepines and their use in he modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-26 US disclosed
EP-2387395-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER Rigel Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
US-8040491-B2 Exposure method, substrate stage, exposure apparatus, and device manufacturing method NIKON CORPORATION (JP) 2011-10-18 US disclosed
WO-2010083465-A1 AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER RIGEL PHARMACEUTICALS, INC. (US) 2010-07-22 WO disclosed
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-04-23 US disclosed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 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 (3 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-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor DRD3, DRD2, ADRB3 PNMT 707/4885ADRA2A 45/4885MEN1 4526/4885
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR PNMT 292/4885ADRA2A 37/4885MEN1 4726/4885
US-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 PNMT 4103/4885ADRA2A 1552/4885MEN1 2018/4885

“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.