SCHEMBL7125210

SCHEMBL7125210

N#Cc1cc(I)c(OCCCN2CCN(C3=COC(C4=CC=CCC4)=CO3)CC2)c(I)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.32
HRH1 P35367 3/20 0.32
SIRT3 Q9NTG7 2/20 0.31
HRH2 P25021 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL7118543 0.90 HRH3 (0.34) HRH3HRH1HRH2DRD2DRD3
SCHEMBL7128107 0.87 CYP3A4 (0.39) HRH3HRH1DRD2DRD3
SCHEMBL7125197 0.82 HRH1 (0.40) HRH3HRH1HRH2DRD2DRD3
SCHEMBL7118092 0.81 HTR1A (0.33) HRH1DRD2DRD3
SCHEMBL7122251 0.81 ALDH1A1 (0.37) HRH3SIRT3
SCHEMBL7119259 0.81 HRH3 (0.35) HRH3HRH1DRD2DRD3
SCHEMBL7127138 0.80 HTR1A (0.44) HRH3DRD2DRD3
SCHEMBL7123102 0.80 HRH3 (0.35) HRH3HRH1SIRT3DRD2DRD3
SCHEMBL7122257 0.80 LMNA (0.32) DRD2DRD3
SCHEMBL7124375 0.80 HTR1A (0.33) HRH1SIRT3DRD2DRD3

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 787/4885HRH1 2069/4885SIRT3 3034/4885

“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.