SCHEMBL3288733

SCHEMBL3288733

CCCN(CCC)c1cccc2[nH]c(=O)n(C)c12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
CRHR1 P34998 6/20 0.42
RAB9A P51151 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.40
DAO P14920 1/20 0.39
DPP4 P27487 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
SCHEMBL3285011 0.88 TSHR (0.43) HTR1ADRD2DRD3RAB9AADORA3
SCHEMBL13459228 0.78 AR (0.40) HTR1ADRD2DRD3ADORA3ADORA2A
SCHEMBL13459218 0.74 ALDH3A1 (0.40) CRHR1DPP4
SCHEMBL13459224 0.74 DPP4 (0.44) HTR1ADRD2DRD3CRHR1RAB9A
SCHEMBL3284887 0.74 CSNK2A2 (0.41) CRHR1RAB9A
SCHEMBL3293146 0.74 UTS2R (0.41) HTR1ADRD2DRD3RAB9ALMNA
SCHEMBL3292254 0.74 HSD17B10 (0.46) HTR1ADRD2DRD3RAB9ALMNA
SCHEMBL13015480 0.71 DAO (0.66) HTR1AADORA3ADORA2AADORA2BADORA1
SCHEMBL2085302 0.71 ADORA3 (0.41) HTR1ADRD2DRD3ADORA3ADORA2A
SCHEMBL3285641 0.71 HTR1A (0.44) HTR1ADRD2DRD3ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 US 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 HTR1A 123/4885DRD2 172/4885DRD3 56/4885

“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.