SCHEMBL6501204

SCHEMBL6501204

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(Cc3ncc[nH]3)C=N2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.35
DRD2 P14416 3/20 0.34
ALOX15 P16050 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
OPRK1 P41145 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DRD3 P35462 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
HTT P42858 1/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
SLC40A1 Q9NP59 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
SCHEMBL6495545 0.90 HTT (0.42) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6494771 0.87 DRD2 (0.33) DRD4DRD2DRD3HTR1AHTR7
SCHEMBL6496267 0.87 DRD2 (0.34) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6488328 0.87 DRD4 (0.40) DRD4DRD2DRD3HTR1AHTR7
SCHEMBL6490571 0.86 DRD4 (0.35) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6500590 0.85 DRD4 (0.33) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6488045 0.85 TPH1 (0.34) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6485909 0.84 TP53 (0.33) DRD4DRD2ALOX15DRD3HTR1A
SCHEMBL6496243 0.84 DRD4 (0.43) DRD4DRD2KDM4EDRD3HTR1A
SCHEMBL6486470 0.84 LMNA (0.37) DRD4DRD2KDM4EALDH1A1DRD3

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 DRD4 1688/4885DRD2 963/4885ALOX15 357/4885

“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.