SCHEMBL6484812

SCHEMBL6484812

CN(C)c1ccc(CN2C=NC3=C(C2)CN(CC#Cc2nc4ccccc4[nH]2)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
DRD4 P21917 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AB1 P08238 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MCL1 Q07820 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
TNF P01375 1/20 0.30
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL6487052 0.91 DRD4 (0.36) DRD2DRD3DRD4MAPTTDP1
SCHEMBL6488328 0.91 DRD4 (0.40) DRD2DRD3DRD4MAPTTDP1
SCHEMBL6496243 0.90 DRD4 (0.43) DRD2DRD3DRD4MAPTTDP1
SCHEMBL6494056 0.89 HTR2B (0.41) DRD2DRD3DRD4MAPTTDP1
SCHEMBL6499103 0.89 DRD4 (0.35) DRD2DRD3DRD4MAPTTDP1
SCHEMBL6500672 0.89 DRD4 (0.35) DRD2DRD3DRD4MAPTTDP1
SCHEMBL6496053 0.89 DRD4 (0.39) DRD2DRD3DRD4L3MBTL1ALDH1A1
SCHEMBL6490571 0.88 DRD4 (0.35) DRD2DRD3DRD4MAPTTDP1
SCHEMBL6486978 0.87 DRD4 (0.37) DRD2DRD3DRD4MAPTTDP1
SCHEMBL6486075 0.87 LMNA (0.34) DRD2DRD3DRD4MAPTTDP1

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 3 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
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 DRD2 963/4885DRD3 634/4885DRD4 1688/4885

“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.