SCHEMBL6487261

SCHEMBL6487261

CN1CCN(COC(=O)N2CCC3=C(C2)C(=O)N(Cc2ccccc2)CN3C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 14/20 0.42
SIGMAR1 Q99720 14/20 0.42
MC4R P32245 1/20 0.39
HRH2 P25021 3/20 0.38
HTR2C P28335 3/20 0.38
HTR1E P28566 3/20 0.38
HRH1 P35367 3/20 0.38
HTR1A P08908 2/20 0.38
HTR1B P28222 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRM5 P08912 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1D P25100 1/20 0.37

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
SCHEMBL6497464 0.93 DRD3 (0.41) TMEM97SIGMAR1DRD3ALDH1A1CYP3A4
SCHEMBL6487672 0.93 HRH3 (0.38) TMEM97SIGMAR1HRH3ALDH1A1MEN1
SCHEMBL6496189 0.92 HRH3 (0.39) TMEM97SIGMAR1HRH3ALDH1A1MEN1
SCHEMBL6486752 0.89 TMEM97 (0.36) TMEM97SIGMAR1ALDH1A1
SCHEMBL6487338 0.88 TMEM97 (0.47) TMEM97SIGMAR1HRH2HTR2CHTR1E
SCHEMBL6499661 0.84 TMEM97 (0.43) TMEM97SIGMAR1CYP3A4
SCHEMBL6499143 0.84 CYP19A1 (0.37) TMEM97SIGMAR1CYP3A4CYP2D6
SCHEMBL6487418 0.84 ALDH1A1 (0.36) TMEM97SIGMAR1ALDH1A1
SCHEMBL6485050 0.83 POLB (0.39) DRD3ALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL6503118 0.83 TMEM97 (0.43) TMEM97SIGMAR1HRH2HTR2CHTR1E

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 4243/4885MC4R 1224/4885

“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.