SCHEMBL1018512

SCHEMBL1018512

Fc1cccc(Cl)c1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
HTR1A P08908 4/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL21295168 0.87 HTR1A (0.61) MAOBHTR1ASLC6A2SLC6A3ADRA1D
SCHEMBL14882717 0.81 KDM1A (0.60) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL1766179 0.80 MAPT (0.56) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL3920122 0.80 HPGD (0.51) MAOAMAOBHTR1ASLC6A2SLC6A3
SCHEMBL19612456 0.80 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL12842316 0.80 KDM1A (0.55) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL30259750 0.79 KDM1A (0.56) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL22357317 0.79 KDM1A (0.51) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL13973471 0.79 MEN1 (0.49) HTR1AADRA1DADRA1AADRA1B
SCHEMBL13958838 0.79 KMT2A (0.41) KDM1AMAOAMAOBHTR1ASLC6A2

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 13 patents. 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
CN-102036976-B Modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2013-05-01 CN disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
CN-102036976-A Modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2011-04-27 CN disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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 (2 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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 KDM1A 2057/4885MAOA 74/4885MAOB 95/4885
US-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB KDM1A 4865/4885MAOA 3846/4885MAOB 2740/4885

“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.