SCHEMBL6484508

SCHEMBL6484508

O=C(OCN1CCCC1)N1CCc2ncn(Cc3ccccc3)c(=O)c2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
P2RX3 P56373 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 1/20 0.38
CXCR3 P49682 1/20 0.37

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
SCHEMBL6496073 0.92 CLPP (0.43) CLPPPKMMEN1HPGDKMT2A
SCHEMBL6490322 0.91 CLPP (0.44) CLPPPKMHPGDP2RX3TP53
SCHEMBL6500006 0.88 PKM (0.43) CLPPPKMMEN1HPGDTSHR
SCHEMBL6490708 0.88 TMEM97 (0.48) CLPPPKMHDAC1HDAC6CXCR3
SCHEMBL6488578 0.86 PKM (0.45) CLPPPKMSMN1; SMN2P2RX3TP53
SCHEMBL6489890 0.83 CXCR3 (0.45) CLPPPKMHDAC1HDAC6CXCR3
SCHEMBL6488059 0.83 CLPP (0.52) CLPPPKMHPGDTSHRHDAC1
SCHEMBL6494145 0.83 PKM (0.45) CLPPPKMSMN1; SMN2P2RX3TP53
SCHEMBL6501807 0.83 HDAC1 (0.44) CLPPPKMHDAC1HDAC6CXCR3
SCHEMBL6488326 0.83 PKM (0.54) PKMHPGD

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 CLPP 3602/4885PKM 606/4885HTT 1501/4885

“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.