SCHEMBL6500058

SCHEMBL6500058

CN1CCN(c2ccc(CN3C=NC4=C(C3)CN(CC#Cc3nc5ccccc5[nH]3)CC4)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.37
ACHE P22303 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HTR1A P08908 2/20 0.34
HTR3A P46098 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 5/20 0.33
DRD3 P35462 5/20 0.33
TPH1 P17752 1/20 0.33
TPH2 Q8IWU9 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
KDM1A O60341 1/20 0.33
ABCB1 P08183 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
SCHEMBL6486978 0.93 DRD4 (0.37) DRD4ACHENPC1GAAHTR1A
SCHEMBL6493973 0.92 DRD4 (0.36) DRD4ACHENPC1GAAHTR1A
SCHEMBL6500071 0.91 TPH1 (0.38) DRD4NPC1GAAALDH1A1MAPT
SCHEMBL6487052 0.89 DRD4 (0.36) DRD4NPC1GAAHTR1AALDH1A1
SCHEMBL6488328 0.89 DRD4 (0.40) DRD4ACHENPC1GAAHTR1A
SCHEMBL6496243 0.88 DRD4 (0.43) DRD4NPC1GAAHTR1AMAPT
SCHEMBL6500672 0.87 DRD4 (0.35) DRD4GAAHTR1AMAPTDRD2
SCHEMBL6499103 0.87 DRD4 (0.35) DRD4NPC1GAAHTR1AMAPT
SCHEMBL6485453 0.87 DRD4 (0.37) DRD4NPC1GAAHTR1AALDH1A1
SCHEMBL6494056 0.87 HTR2B (0.41) DRD4GAAHTR1AMAPTDRD2

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 DRD4 1688/4885ACHE 2016/4885NPC1 1810/4885

“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.