SCHEMBL6500672

SCHEMBL6500672

Ic1ccc(CN2C=NC3=C(C2)CN(CC#Cc2nc4ccccc4[nH]2)CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
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
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 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
SCHEMBL6488328 0.93 DRD4 (0.40) DRD4DRD2DRD3GAAMAPT
SCHEMBL6496243 0.92 DRD4 (0.43) DRD4DRD2DRD3GAAMAPT
SCHEMBL6485453 0.91 DRD4 (0.37) DRD4DRD2DRD3GAAMAPT
SCHEMBL6494056 0.91 HTR2B (0.41) DRD4DRD2DRD3GAAMAPT
SCHEMBL6487052 0.91 DRD4 (0.36) DRD4DRD2DRD3GAAMAPT
SCHEMBL6499103 0.91 DRD4 (0.35) DRD4DRD2DRD3GAAMAPT
SCHEMBL6490571 0.90 DRD4 (0.35) DRD4DRD2DRD3GAAMAPT
SCHEMBL6496053 0.89 DRD4 (0.39) DRD4DRD2DRD3L3MBTL1HTR1A
SCHEMBL6484812 0.89 DRD2 (0.33) DRD4DRD2DRD3GAAMAPT
SCHEMBL6486978 0.89 DRD4 (0.37) DRD4DRD2DRD3GAAMAPT

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 DRD4 1688/4885DRD2 963/4885DRD3 634/4885

“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.