SCHEMBL6489890

SCHEMBL6489890

O=C(OCc1ccncc1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
DHFR P00374 1/20 0.44
GRM5 P41594 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GRIN2B Q13224 1/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.43
KDR P35968 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PKM P14618 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
CLPP Q16740 1/20 0.42

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
SCHEMBL6490708 0.95 TMEM97 (0.48) CXCR3OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6488059 0.90 CLPP (0.52) TMEM97SIGMAR1PTGDR2HDAC1HDAC6
SCHEMBL6488032 0.90 HDAC1 (0.46) CXCR3OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6501807 0.90 HDAC1 (0.44) CXCR3OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6488326 0.90 PKM (0.54) PTGDR2PKM
SCHEMBL6490686 0.88 PTGDR2 (0.46) TMEM97SIGMAR1PTGDR2PKM
SCHEMBL6488619 0.87 PTGDR2 (0.44) CXCR3OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6491009 0.87 PKM (0.46) CXCR3OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6487406 0.87 PKM (0.42) CXCR3TMEM97SIGMAR1DHFRPTGDR2
SCHEMBL6496740 0.86 PKM (0.42) CXCR3OPRD1OPRK1TMEM97SIGMAR1

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 6 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 claimed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US claimed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
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 CXCR3 281/4885OPRD1 1171/4885OPRK1 1737/4885

“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.