SCHEMBL7119259

SCHEMBL7119259

N#Cc1ccc(OCCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 5/20 0.33
DRD3 P35462 5/20 0.33
ICMT O60725 1/20 0.33
HTR2A P28223 3/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 4/20 0.33
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DRD1 P21728 2/20 0.32

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
SCHEMBL7125197 0.85 HRH1 (0.40) HRH3DRD2DRD3HTR2AHTR1A
SCHEMBL7117414 0.84 POLB (0.39) CYP1A2CYP2D6CYP2C19L3MBTL1DRD2
SCHEMBL7128466 0.84 L3MBTL1 (0.47) HRH3CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL7118543 0.82 HRH3 (0.34) HRH3DRD2DRD3HRH1
SCHEMBL7127138 0.81 HTR1A (0.44) HRH3L3MBTL1DRD2DRD3HTR2A
SCHEMBL7125210 0.81 HRH3 (0.32) HRH3DRD2DRD3HRH1
SCHEMBL4872828 0.80 HTR7 (0.33) HRH3DRD2DRD3DRD4HRH1
SCHEMBL7124155 0.80 HTR1A (0.46) HRH3DRD2DRD3HTR2AHTR1A
SCHEMBL7126591 0.79 ALDH1A1 (0.34) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL7128154 0.79 HTR1A (0.42) CYP1A2CYP2D6CYP2C19L3MBTL1DRD2

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 HRH3 787/4885MAOA 67/4885MAOB 47/4885

“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.