SCHEMBL1019545

SCHEMBL1019545

CCCN(Cc1ccccc1)C[C@H]1COc2cccc(F)c2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LTA4H P09960 4/20 0.40
HPGD P15428 2/20 0.40
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
TP53 P04637 1/20 0.38
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NR1D1 P20393 1/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL1021465 0.91 KDM4E (0.49) KDM4ELTA4HHPGDADRA1DADRA1A
SCHEMBL1019554 0.83 LTA4H (0.34) LTA4HHPGDDRD2TP53HTR1A
SCHEMBL1018752 0.82 CA2 (0.39) LTA4HHPGDTP53NR1D1ALOX5
SCHEMBL8184470 0.75 CA2 (0.43) HPGDHTR2AHTR2CNR1D1ALOX5
SCHEMBL18359049 0.75 CA2 (0.56) HPGDDRD2TP53HTR1ADRD1
SCHEMBL29516526 0.75 CA2 (0.56) HPGDDRD2TP53HTR1ADRD1
SCHEMBL1018053 0.74 LTA4H (0.40) KDM4ELTA4HHPGDNR1D1ALOX5
SCHEMBL7286538 0.73 ALOX5 (0.49) LTA4HADRA1ADRD3HTR1ADRD1
SCHEMBL1879135 0.73 CA2 (0.40) KDM4ELTA4HHPGDNR1D1ALOX5
SCHEMBL7284699 0.71 ALOX5 (0.50) LTA4HHPGDHTR1ANR1D1ALOX5

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 5 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
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
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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 (1 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 KDM4E 1570/4885LTA4H 1989/4885HPGD 494/4885

“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.