SCHEMBL7120413

SCHEMBL7120413

O=[N+]([O-])c1cc(Br)c(OCCCN2CCN(c3cccc4ccsc34)CC2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.53
HTR2A P28223 5/20 0.53
DRD2 P14416 4/20 0.53
ADRA1D P25100 2/20 0.39
HTR1B P28222 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR7 P34969 3/20 0.38
HTR6 P50406 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL7121850 0.87 HTR2A (0.56) HTR1AHTR2ADRD2HTR7SLC6A2
SCHEMBL7118961 0.85 HTR2A (0.55) HTR1AHTR2ADRD2HTR7SLC6A2
SCHEMBL7122142 0.83 HTR2A (0.54) HTR1AHTR2ADRD2HTR7
SCHEMBL7119324 0.81 HTR2A (0.52) HTR1AHTR2ADRD2HTR7SLC6A4
SCHEMBL7128893 0.80 HTR2A (0.55) HTR1AHTR2ADRD2HTR7SLC6A2
SCHEMBL7117583 0.78 DRD2 (0.55) HTR1AHTR2ADRD2HTR7SLC6A2
SCHEMBL7127886 0.77 HTR1A (0.52) HTR1AHTR2ADRD2ADRA1DHTR1B
SCHEMBL7126131 0.76 HTR1A (0.47) HTR1AHTR2ADRD2ADRA1DHTR1B
SCHEMBL7124387 0.76 DRD2 (0.55) HTR1AHTR2ADRD2ADRA1DHTR1B
SCHEMBL7120429 0.75 DRD2 (0.52) HTR1AHTR2ADRD2DRD4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US claimed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP claimed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO claimed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 HTR1A 74/4885HTR2A 176/4885DRD2 7/4885

“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.