SCHEMBL6494155

SCHEMBL6494155

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(CC3CCCCC3)C=N2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 3/20 0.31
ACHE P22303 3/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
LMNA P02545 1/20 0.31
DRD4 P21917 1/20 0.30
FAAH O00519 1/20 0.30
HTR2B P41595 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
SCHEMBL6489982 0.87 HTT (0.39) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6496526 0.86 HTR2B (0.36) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6488328 0.84 DRD4 (0.40) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6498667 0.84 DRD2 (0.34) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6495545 0.84 HTT (0.42) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6497681 0.83 DRD2 (0.33) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6496243 0.82 DRD4 (0.43) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6490571 0.82 DRD4 (0.35) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6485909 0.82 TP53 (0.33) HTTHTR1ADRD2HTR7HRH1
SCHEMBL6493973 0.82 DRD4 (0.36) HTTHTR1ADRD2HTR7HRH1

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 HTT 1501/4885HTR1A 3646/4885DRD2 963/4885

“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.