SCHEMBL6487201

SCHEMBL6487201

CC(OC(=O)N1CCC2=C(CN(Cc3ccccc3)CN2C)C1)c1cc2ccccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.37
HRH4 Q9H3N8 3/20 0.36
HRH1 P35367 1/20 0.34
DRD3 P35462 4/20 0.34
DRD2 P14416 3/20 0.34
CALCRL Q16602 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK14 Q16539 2/20 0.33
PARP1 P09874 1/20 0.33
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6488682 0.84 ALDH1A1 (0.36) MAPK14ALDH1A1L3MBTL1
SCHEMBL6489965 0.84 KDR (0.38) KDRHRH4HRH1DRD3DRD2
SCHEMBL6486984 0.83 KDR (0.45) KDRHRH4HRH1DRD3
SCHEMBL6496169 0.76 TMEM97 (0.48) HRH1DRD3ALDH1A1
SCHEMBL6489853 0.76 GRIN2B (0.50) KDRDRD3DRD2PARP1L3MBTL1
SCHEMBL6495793 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1
SCHEMBL6489803 0.75 CLPP (0.40) KDRHDAC6ALDH1A1
SCHEMBL6487433 0.75 KDR (0.43) KDRCALCRL
SCHEMBL6499028 0.75 HTR2B (0.45) DRD3DRD2
SCHEMBL6490718 0.74 ALDH1A1 (0.39) ALDH1A1

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 KDR 3681/4885HRH4 883/4885HRH1 1210/4885

“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.