SCHEMBL6487210

SCHEMBL6487210

CN1CN(Cc2ccccc2)C(=O)C2=C1CCN(C(=O)OCc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
ENPP2 Q13822 2/20 0.41
ATXN2 Q99700 1/20 0.41
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
CHRM4 P08173 1/20 0.40
P2RY1 P47900 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL6487338 0.90 TMEM97 (0.47) TMEM97SIGMAR1CYP1A2CYP3A4GRM5
SCHEMBL6486125 0.90 CLPP (0.42) PTGDR2TMEM97SIGMAR1
SCHEMBL6498920 0.90 OPRM1 (0.44) PTGDR2TMEM97SIGMAR1
SCHEMBL6501893 0.89 TMEM97 (0.43) PTGDR2TMEM97SIGMAR1
SCHEMBL6499661 0.88 TMEM97 (0.43) PTGDR2TMEM97SIGMAR1CYP1A2CYP3A4
SCHEMBL6484787 0.87 TMEM97 (0.42) PTGDR2TMEM97SIGMAR1CYP1A2CYP3A4
SCHEMBL6487329 0.87 TMEM97 (0.43) PTGDR2TMEM97SIGMAR1CYP1A2CYP3A4
SCHEMBL6489882 0.87 TMEM97 (0.43) PTGDR2TMEM97SIGMAR1CYP1A2CYP3A4
SCHEMBL6503118 0.85 TMEM97 (0.43) TMEM97SIGMAR1CYP1A2CYP3A4GRM5
SCHEMBL6485731 0.83 PTGDR2 (0.42) PTGDR2TMEM97SIGMAR1

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 PTGDR2 591/4885ENPP2 974/4885ATXN2 3001/4885

“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.