SCHEMBL6486978

SCHEMBL6486978

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(Cc3ccc(N4CCCC4)cc3)C=N2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.37
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
ACHE P22303 2/20 0.33
HTT P42858 1/20 0.33
BCHE P06276 1/20 0.33
HTR1A P08908 2/20 0.32
ADRA2C P18825 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 2/20 0.32
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
HTR7 P34969 1/20 0.31
HRH1 P35367 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
SCHEMBL6493973 0.99 DRD4 (0.36) DRD4GAANPC1MAPTGFER
SCHEMBL6500071 0.94 TPH1 (0.38) DRD4GAANPC1MAPTTDP1
SCHEMBL6500058 0.93 DRD4 (0.37) DRD4GAANPC1MAPTDRD2
SCHEMBL6488328 0.91 DRD4 (0.40) DRD4GAANPC1MAPTGFER
SCHEMBL6496243 0.90 DRD4 (0.43) DRD4GAANPC1MAPTGFER
SCHEMBL6500672 0.89 DRD4 (0.35) DRD4GAAMAPTGFERTDP1
SCHEMBL6494056 0.89 HTR2B (0.41) DRD4GAAMAPTGFERTDP1
SCHEMBL6487052 0.89 DRD4 (0.36) DRD4GAANPC1MAPTGFER
SCHEMBL6499103 0.89 DRD4 (0.35) DRD4GAANPC1MAPTGFER
SCHEMBL6490571 0.88 DRD4 (0.35) DRD4GAAMAPTGFERTDP1

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 DRD4 1688/4885GAA 711/4885NPC1 1810/4885

“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.