SCHEMBL1574566

SCHEMBL1574566

OCCc1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.47
CYP2A6 P11509 1/20 0.47
F12 P00748 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BACE1 P56817 1/20 0.47
ACHE P22303 1/20 0.46
PLG P00747 1/20 0.43
LMNA P02545 2/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 2/20 0.41
CYP3A4 P08684 3/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SORD Q00796 1/20 0.39
MAPT P10636 3/20 0.39

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
Iodide SCHEMBL14778259 0.98 PLAU (0.46) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL14778019 0.98 PLAU (0.46) PLAUCYP2A6F12NCF1NOS3
SCHEMBL3185780 0.89 KDM4E (0.50) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL14778044 0.87 KDM4E (0.49) PLAUCYP2A6F12NCF1NOS3
Bromide SCHEMBL14777765 0.87 KDM4E (0.49) PLAUCYP2A6F12NCF1NOS3
Iodide SCHEMBL14778212 0.87 KDM4E (0.49) PLAUCYP2A6F12NCF1NOS3
SCHEMBL9599037 0.87 KDM4E (0.56) PLAUCYP2A6F12NCF1NOS3
Bromide SCHEMBL14778195 0.86 KDM4E (0.55) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL14778062 0.86 KDM4E (0.55) PLAUCYP2A6F12NCF1NOS3
Iodide SCHEMBL14777560 0.86 KDM4E (0.55) PLAUCYP2A6F12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
EP-1751149-B1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LAB (US) 2012-06-06 EP disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 US disclosed
EP-2308873-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents Abbott Laboratories (US) 2011-04-13 EP disclosed
EP-2258703-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands Abbott Laboratories (US) 2010-12-08 EP disclosed
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
US-7456196-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-11-25 US disclosed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
EP-1751149-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LABORATORIES (US) 2007-02-14 EP disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO disclosed
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
CN-1183773-A Alpha-substituted pyrimidine-thioalkyl and alkylether compounds UPJOHN CO (US) 1998-06-03 CN disclosed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
EP-0143333-B1 [Bis(hydroxymethyl)-methyl]-isoquinoline derivatives, process for preparing them and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1988-06-01 EP disclosed
US-4656179-A Isoquinoline derivatives, and pharmaceutical compositions containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-04-07 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 (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-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 PLAU 3471/4885CYP2A6 1355/4885F12 618/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 PLAU 3471/4885CYP2A6 1355/4885F12 618/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 PLAU 3631/4885CYP2A6 1232/4885F12 549/4885

“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.