SCHEMBL6497464

SCHEMBL6497464

CN1CN(Cc2ccccc2)C(=O)C2=C1CCN(C(=O)OCN1Cc3ccccc3C1)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
TMEM97 Q5BJF2 8/20 0.39
SIGMAR1 Q99720 8/20 0.39
PRMT5 O14744 5/20 0.39
WDR77 Q9BQA1 5/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PREP P48147 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
SCHEMBL6487261 0.93 TMEM97 (0.42) DRD3KCNH2TMEM97SIGMAR1ALDH1A1
SCHEMBL6487672 0.92 HRH3 (0.38) TMEM97SIGMAR1ALDH1A1CYP2D6PREP
SCHEMBL6496189 0.91 HRH3 (0.39) TMEM97SIGMAR1ALDH1A1CYP2D6PREP
SCHEMBL6486752 0.88 TMEM97 (0.36) TMEM97SIGMAR1ALDH1A1
SCHEMBL6487338 0.87 TMEM97 (0.47) TMEM97SIGMAR1ALDH1A1CYP3A4HPGD
SCHEMBL6499661 0.83 TMEM97 (0.43) TMEM97SIGMAR1CYP3A4
SCHEMBL6499143 0.83 CYP19A1 (0.37) TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL6487418 0.83 ALDH1A1 (0.36) TMEM97SIGMAR1ALDH1A1
SCHEMBL6485050 0.83 POLB (0.39) DRD3KCNH2ALDH1A1TSHRCYP3A4
SCHEMBL6501893 0.82 TMEM97 (0.43) TMEM97SIGMAR1

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 DRD3 634/4885KCNH2 986/4885TMEM97 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.