SCHEMBL6488045

SCHEMBL6488045

C(#Cc1nc2ccccc2[nH]1)CN1CCC2=C(CN(Cc3nccs3)C=N2)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.34
TPH2 Q8IWU9 1/20 0.34
DRD4 P21917 5/20 0.33
DRD2 P14416 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 2/20 0.31
SLC40A1 Q9NP59 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
OPRK1 P41145 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2A P28223 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 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
SCHEMBL6486470 0.87 LMNA (0.37) DRD4DRD2SMN1; SMN2KDM4EALDH1A1
SCHEMBL6495545 0.85 HTT (0.42) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6488328 0.85 DRD4 (0.40) DRD4DRD2SMN1; SMN2HTR1AHTR7
SCHEMBL6501204 0.85 DRD4 (0.35) DRD4DRD2ALOX15SLC40A1KDM4E
SCHEMBL6490571 0.85 DRD4 (0.35) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6500590 0.84 DRD4 (0.33) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6496243 0.83 DRD4 (0.43) DRD4DRD2KDM4EHTR1AHTR7
SCHEMBL6485909 0.83 TP53 (0.33) DRD4DRD2ALOX15HTR1AHTR7
SCHEMBL6496267 0.82 DRD2 (0.34) DRD4DRD2ALOX15KDM4EALDH1A1
SCHEMBL6485453 0.82 DRD4 (0.37) DRD4DRD2SMN1; SMN2ALDH1A1HTR1A

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 TPH1 1252/4885TPH2 1985/4885DRD4 1688/4885

“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.