SCHEMBL6486470

SCHEMBL6486470

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(Cc3cccs3)C=N2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
DRD2 P14416 3/20 0.33
HTR1A P08908 2/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 2/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 3/20 0.32
MYC P01106 2/20 0.31
DRD4 P21917 4/20 0.31
HTT P42858 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ALDH1A1 P00352 3/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 2/20 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 0.88 HTT (0.42) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6488328 0.88 DRD4 (0.40) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6488045 0.87 TPH1 (0.34) DRD2HTR1AHTR2ADRD3HTR7
SCHEMBL6490571 0.87 DRD4 (0.35) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6496375 0.86 FAAH (0.31) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6486899 0.85 ALDH1A1 (0.33) LMNATSHRDRD2HTR1AHTR2A
SCHEMBL6496243 0.85 DRD4 (0.43) DRD2HTR1ADRD3HTR7HRH1
SCHEMBL6485909 0.85 TP53 (0.33) TSHRDRD2HTR1ADRD3HTR7
SCHEMBL6484988 0.85 DRD2 (0.32) LMNADRD2HTR1ADRD3HTR7
SCHEMBL6496267 0.84 DRD2 (0.34) DRD2HTR1ADRD3HTR7HRH1

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 LMNA 3536/4885TSHR 3027/4885DRD2 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.