SCHEMBL6809288

SCHEMBL6809288

Nc1ccc2c(c1)CCC(=O)N2CCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.55
HSD17B10 Q99714 1/20 0.48
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
BRD4 O60885 1/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 3/20 0.42
GRM5 P41594 1/20 0.41
HRH1 P35367 1/20 0.40
CACNA1B Q00975 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL27376464 0.88 ATAD2 (0.58) ATAD2GRIN1GRIN2BBRD4DRD2
SCHEMBL30806763 0.88 ATAD2 (0.58) ATAD2GRIN1GRIN2BBRD4DRD2
SCHEMBL6636318 0.79 HRH1 (0.43) HSD17B10DRD2HRH1ACHE
SCHEMBL14049720 0.76 ATAD2 (0.65) ATAD2DRD2DRD4DRD3
SCHEMBL3599801 0.75 ATAD2 (0.68) ATAD2HSD17B10DRD2DRD4DRD3
SCHEMBL16453538 0.75 ATAD2 (0.78) ATAD2HSD17B10DRD2DRD4DRD3
SCHEMBL17525607 0.75 HSD17B10 (0.62) HSD17B10GRM5HRH1CYP1A2ACHE
SCHEMBL30806307 0.73 POLB (0.68) ATAD2BRD4DRD2DRD4DRD3
SCHEMBL27376419 0.73 POLB (0.68) ATAD2BRD4DRD2DRD4DRD3
SCHEMBL8138675 0.72 ATAD2 (1.00) ATAD2HSD17B10BRD4DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 ATAD2 1599/4885HSD17B10 148/4885GRIN1 1465/4885

“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.