SCHEMBL6494056

SCHEMBL6494056

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(Cc3ccc(-c4ccccc4)cc3)C=N2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.41
DRD4 P21917 5/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKT1 P31749 3/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
HTT P42858 1/20 0.31
ALKBH3 Q96Q83 1/20 0.30
PAX8 Q06710 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 0.95 DRD4 (0.40) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6496243 0.92 DRD4 (0.43) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6485453 0.91 DRD4 (0.37) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6499103 0.91 DRD4 (0.35) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6487052 0.91 DRD4 (0.36) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6500672 0.91 DRD4 (0.35) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6490571 0.90 DRD4 (0.35) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6488588 0.90 L3MBTL1 (0.35) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6484812 0.89 DRD2 (0.33) HTR2BDRD4DRD2DRD3GAA
SCHEMBL6496053 0.89 DRD4 (0.39) DRD4DRD2DRD3L3MBTL1HTR1A

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 HTR2B 4062/4885DRD4 1688/4885DRD2 963/4885

“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.