SCHEMBL6487672

SCHEMBL6487672

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
PREP P48147 1/20 0.37
TMEM97 Q5BJF2 8/20 0.37
SIGMAR1 Q99720 8/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2D6 P10635 1/20 0.35
APP P05067 1/20 0.35
CASP3 P42574 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
SCHEMBL6496189 0.99 HRH3 (0.39) HRH3PREPTMEM97SIGMAR1L3MBTL1
SCHEMBL6487261 0.93 TMEM97 (0.42) HRH3TMEM97SIGMAR1MEN1KMT2A
SCHEMBL6497464 0.92 DRD3 (0.41) PREPTMEM97SIGMAR1ALDH1A1CYP2D6
SCHEMBL6486752 0.89 TMEM97 (0.36) TMEM97SIGMAR1ALDH1A1CASP3
SCHEMBL6487338 0.89 TMEM97 (0.47) HRH3TMEM97SIGMAR1SMN1; SMN2MEN1
SCHEMBL6499661 0.85 TMEM97 (0.43) TMEM97SIGMAR1
SCHEMBL6499143 0.85 CYP19A1 (0.37) TMEM97SIGMAR1CYP2D6
SCHEMBL6487418 0.85 ALDH1A1 (0.36) TMEM97SIGMAR1ALDH1A1CASP3
SCHEMBL6485050 0.84 POLB (0.39) PREPL3MBTL1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6489882 0.84 TMEM97 (0.43) HRH3TMEM97SIGMAR1MEN1KMT2A

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 1410/4885PREP 46/4885TMEM97 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.