SCHEMBL6495545

SCHEMBL6495545

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(Cc3nc4ccccc4[nH]3)C=N2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
DRD4 P21917 14/20 0.41
HPGD P15428 1/20 0.40
DRD2 P14416 3/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRK1 P41145 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRM2 Q14416 1/20 0.36

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 0.91 DRD4 (0.40) HTTDRD4HPGDDRD2HTR1A
SCHEMBL6489849 0.90 DRD2 (0.33) HTTDRD4HPGDDRD2HTR1A
SCHEMBL6501204 0.90 DRD4 (0.35) HTTDRD4HPGDDRD2HTR1A
SCHEMBL6494771 0.90 DRD2 (0.33) HTTDRD4HPGDDRD2HTR1A
SCHEMBL6496267 0.89 DRD2 (0.34) HTTDRD4HPGDDRD2HTR1A
SCHEMBL6485909 0.88 TP53 (0.33) HTTDRD4HPGDDRD2HTR1A
SCHEMBL6496243 0.88 DRD4 (0.43) HTTDRD4DRD2HTR1AHTR7
SCHEMBL6490571 0.88 DRD4 (0.35) HTTDRD4HPGDDRD2HTR1A
SCHEMBL6500672 0.88 DRD4 (0.35) HTTDRD4HPGDDRD2HTR1A
SCHEMBL6486470 0.88 LMNA (0.37) HTTDRD4HPGDDRD2HTR1A

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 HTT 1501/4885DRD4 1688/4885HPGD 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.