SCHEMBL6490718

SCHEMBL6490718

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCN1CCCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP2D6 P10635 2/20 0.39
TMEM97 Q5BJF2 8/20 0.38
SIGMAR1 Q99720 8/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 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
SCHEMBL6486970 0.92 TMEM97 (0.41) CYP2D6TMEM97SIGMAR1KDM4ETDP1
SCHEMBL6485467 0.90 TMEM97 (0.37) ALDH1A1TMEM97SIGMAR1
SCHEMBL6496169 0.89 TMEM97 (0.48) ALDH1A1TMEM97SIGMAR1HRH3MEN1
SCHEMBL6496625 0.85 TMEM97 (0.45) TMEM97SIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL6498604 0.85 TMEM97 (0.34) ALDH1A1CYP2D6TMEM97SIGMAR1MEN1
SCHEMBL6495646 0.85 CYP19A1 (0.38) CYP2D6TMEM97SIGMAR1
SCHEMBL6495793 0.84 ALDH1A1 (0.41) ALDH1A1CYP2D6SIGMAR1KDM4EMEN1
SCHEMBL6494147 0.84 GRM5 (0.35) ALDH1A1TMEM97SIGMAR1MEN1KMT2A
SCHEMBL6495760 0.84 TMEM97 (0.44) CYP2D6TMEM97SIGMAR1MEN1KMT2A
SCHEMBL6488679 0.83 TMEM97 (0.39) ALDH1A1CYP2D6TMEM97SIGMAR1HRH3

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 ALDH1A1 1071/4885CYP2D6 743/4885TMEM97 3966/4885

“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.