SCHEMBL6489982

SCHEMBL6489982

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(CN3CCCCC3)C=N2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ACHE P22303 3/20 0.34
BCHE P06276 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
LTA4H P09960 4/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
DRD4 P21917 3/20 0.31
NPC1 O15118 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
SCHEMBL6497681 0.89 DRD2 (0.33) HTTDRD2DRD3HTR1AHTR7
SCHEMBL6494155 0.87 HTT (0.33) HTTACHEBCHEDRD2DRD3
SCHEMBL6488328 0.86 DRD4 (0.40) HTTACHEBCHEDRD2DRD3
SCHEMBL6498667 0.86 DRD2 (0.34) HTTDRD2DRD3HTR1AHTR7
SCHEMBL6495545 0.86 HTT (0.42) HTTDRD2DRD3HTR1AHTR7
SCHEMBL6493973 0.86 DRD4 (0.36) HTTACHEBCHEDRD2DRD3
SCHEMBL6485052 0.85 HTR1A (0.31) DRD2DRD3HTR1AHTR7HRH1
SCHEMBL6486978 0.85 DRD4 (0.37) HTTACHEBCHEDRD2DRD3
SCHEMBL6490571 0.84 DRD4 (0.35) HTTDRD2DRD3HTR1AHTR7
SCHEMBL6485909 0.84 TP53 (0.33) HTTDRD2DRD3HTR1AHTR7

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-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 HTT 1501/4885ACHE 2016/4885BCHE 2522/4885

“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.