SCHEMBL6500071

SCHEMBL6500071

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(Cc3ccc(N4CCOCC4)cc3)C=N2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.38
TPH2 Q8IWU9 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
DRD4 P21917 5/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6486978 0.94 DRD4 (0.37) TPH1TPH2DRD4MAPTNPC1
SCHEMBL6493973 0.93 DRD4 (0.36) TPH1TPH2DRD4MAPTNPC1
SCHEMBL6500058 0.91 DRD4 (0.37) TPH1TPH2DRD4MAPTNPC1
SCHEMBL6488328 0.89 DRD4 (0.40) HPGDTP53DRD4MAPTNPC1
SCHEMBL6496243 0.88 DRD4 (0.43) DRD4MAPTNPC1GAARAB9A
SCHEMBL6500672 0.88 DRD4 (0.35) HPGDDRD4MAPTGAAL3MBTL1
SCHEMBL6494056 0.88 HTR2B (0.41) HPGDDRD4MAPTGAAL3MBTL1
SCHEMBL6485453 0.88 DRD4 (0.37) TP53DRD4MAPTNPC1GAA
SCHEMBL6487052 0.88 DRD4 (0.36) HPGDTP53DRD4MAPTNPC1
SCHEMBL6499103 0.88 DRD4 (0.35) HPGDDRD4MAPTNPC1GAA

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 TPH1 1252/4885TPH2 1985/4885HPGD 127/4885

“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.