SCHEMBL502587

SCHEMBL502587

NCC1Cc2ccccc2OO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
AOC2 O75106 5/20 0.40
DAO P14920 1/20 0.40
HTR2A P28223 4/20 0.38
HTR2C P28335 2/20 0.38
HRH1 P35367 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
RET P07949 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL8405409 0.81 HRH3 (0.37) MAOAMAOBAOC2DAOHRH3
SCHEMBL3767763 0.81 HRH3 (0.37) MAOAMAOBAOC2DAOHRH3
SCHEMBL2452704 0.81 HRH3 (0.37) MAOAMAOBAOC2DAOHRH3
SCHEMBL4675701 0.81 HRH3 (0.40) MAOAMAOBAOC2DAOHTR2A
SCHEMBL27574307 0.81 HRH3 (0.37) MAOAMAOBAOC2DAOHTR2A
SCHEMBL718265 0.81 HRH3 (0.49) MAOAMAOBAOC2DAOHTR2A
SCHEMBL29841223 0.81 HRH3 (0.49) MAOAMAOBAOC2DAOHTR2A
Hydrochloric Acid SCHEMBL15825664 0.79 AOC2 (0.51) MAOAMAOBAOC2DAOHTR2A
SCHEMBL6174120 0.77 HRH3 (0.35) MAOAMAOBAOC2DAOHRH3
SCHEMBL4214550 0.77 HRH3 (0.35) MAOAMAOBAOC2DAOHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20120088792-A1 Pyridin-2-YL Methylamine Derivatives for Treating Opiate Dependence PIERRE FABRE MEDICAMENT (FR) 2012-04-12 US disclosed
US-8106074-B2 Pyridin-2-yl-methylamine derivatives for treating opiate dependence PIERRE FABRE MEDICAMENT (FR) 2012-01-31 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
US-20100099709-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES FOR TREATING OPIATE DEPENDENCE PIERRE FABRE MEDICAMENT (FR) 2010-04-22 US disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO disclosed
US-7488751-B2 Antidepressant cycloalkylamine derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2009-02-10 US disclosed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-5496847-A ANXIOLYTIC AND ANTIDEPRESSANT BRISTOL-MYERS SQUIBB CO. (US) 1996-03-05 US disclosed
US-5391570-A Anxiolytic agents; antidepressants BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed
US-5391570-A Anxiolytic agents; antidepressants BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed
US-5391570-A Anxiolytic agents; antidepressants BRISTOL-MYERS SQUIBB (US) 1995-02-21 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5245051-A Antipsychotic chroman derivatives of benzodioxanmethylamine AMERICAN HOME PRODUCTS CORPORATION (US) 1993-09-14 US disclosed
US-5235055-A Antipsychotic quinoline derivatives of benzodioxanmethylamine AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-10 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 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-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C MAOA 60/4885MAOB 57/4885AOC2 1518/4885
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 MAOA 74/4885MAOB 95/4885AOC2 561/4885
US-20120088792-A1 Pyridin-2-YL Methylamine Derivatives for Treating Opiate Dependence OPRK1, OPRM1, OPRD1 MAOA 350/4885MAOB 236/4885AOC2 3666/4885
US-20100099709-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES FOR TREATING OPIATE DEPENDENCE OPRM1, OPRK1, OPRD1 MAOA 452/4885MAOB 395/4885AOC2 3812/4885

“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.