SCHEMBL6496189

SCHEMBL6496189

CN1CN(Cc2ccccc2)C(=O)C2=C1CCN(C(=O)OCN1CCCCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PREP P48147 1/20 0.37
ALDH1A1 P00352 3/20 0.37
APP P05067 1/20 0.37
TMEM97 Q5BJF2 6/20 0.36
SIGMAR1 Q99720 6/20 0.36
MCHR1 Q99705 1/20 0.36
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL6487672 0.99 HRH3 (0.38) HRH3L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6487261 0.92 TMEM97 (0.42) HRH3MEN1KMT2AALDH1A1TMEM97
SCHEMBL6497464 0.91 DRD3 (0.41) PREPALDH1A1TMEM97SIGMAR1CYP2D6
SCHEMBL6486752 0.89 TMEM97 (0.36) ALDH1A1TMEM97SIGMAR1
SCHEMBL6487338 0.88 TMEM97 (0.47) HRH3MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6499661 0.84 TMEM97 (0.43) TMEM97SIGMAR1
SCHEMBL6499143 0.84 CYP19A1 (0.37) TMEM97SIGMAR1CYP2D6
SCHEMBL6487418 0.84 ALDH1A1 (0.36) ALDH1A1TMEM97SIGMAR1
SCHEMBL6485050 0.83 POLB (0.39) L3MBTL1KMT2ASMN1; SMN2PREPALDH1A1
SCHEMBL6503118 0.83 TMEM97 (0.43) HRH3MEN1KMT2ASMN1; SMN2TMEM97

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 HRH3 1410/4885L3MBTL1 3776/4885MEN1 2443/4885

“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.