SCHEMBL6498604

SCHEMBL6498604

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCN1C=NNN1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.34
SIGMAR1 Q99720 5/20 0.34
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
GRM5 P41594 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
NAMPT P43490 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6490718 0.85 ALDH1A1 (0.39) TMEM97SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL6486970 0.83 TMEM97 (0.41) TMEM97SIGMAR1CYP3A4MEN1KMT2A
SCHEMBL6485467 0.83 TMEM97 (0.37) TMEM97SIGMAR1ALDH1A1
SCHEMBL6496169 0.83 TMEM97 (0.48) TMEM97SIGMAR1CYP3A4CYP1A2GRM5
SCHEMBL6495646 0.82 CYP19A1 (0.38) TMEM97SIGMAR1CYP3A4CYP1A2CYP2D6
SCHEMBL6494147 0.81 GRM5 (0.35) TMEM97SIGMAR1CYP3A4CYP1A2GRM5
SCHEMBL6495760 0.80 TMEM97 (0.44) TMEM97SIGMAR1CYP3A4CYP1A2GRM5
SCHEMBL6496625 0.79 TMEM97 (0.45) TMEM97SIGMAR1CYP3A4CYP1A2GRM5
SCHEMBL6495793 0.78 ALDH1A1 (0.41) SIGMAR1ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL6488679 0.77 TMEM97 (0.39) TMEM97SIGMAR1CYP3A4ALDH1A1MEN1

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 TMEM97 3966/4885SIGMAR1 4243/4885CYP3A4 694/4885

“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.