SCHEMBL6487334

SCHEMBL6487334

COc1ccc(C#CCN2CCc3ncn(Cc4ccc(-c5ccco5)cc4)c(=O)c3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.44
ADORA2A P29274 1/20 0.40
MMP13 P45452 3/20 0.38
AURKA O14965 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL6502336 0.90 CLPP (0.49) CLPPADORA2AMMP13ALDH1A1KDM4E
SCHEMBL6493997 0.89 CLPP (0.50) CLPPMMP13KDM4EMAPTCYP11B2
SCHEMBL6484792 0.89 CLPP (0.47) CLPPMMP13CYP11B2PRMT5WDR77
SCHEMBL6485610 0.88 CLPP (0.43) CLPPMMP13CYP11B2HRH3DRD2
SCHEMBL6497781 0.87 CLPP (0.52) CLPPMMP13CYP11B2DRD2DRD4
SCHEMBL6487777 0.87 CLPP (0.50) CLPPMMP13CYP11B2DRD2DRD4
SCHEMBL6490318 0.86 CLPP (0.47) CLPPMMP13MAPTHPGDCYP11B2
SCHEMBL6487309 0.85 CLPP (0.55) CLPPMMP13ALDH1A1KDM4EUSP2
SCHEMBL6490608 0.85 CLPP (0.47) CLPPMMP13KDM4EPKMHPGD
SCHEMBL6490497 0.85 CLPP (0.46) CLPPMMP13ALDH1A1POLBMAPT

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 3602/4885ADORA2A 3875/4885MMP13 3/4885

“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.