SCHEMBL6484787

SCHEMBL6484787

CN1CN(Cc2ccccc2)C(=O)C2=C1CCN(C(=O)OCc1ccc(C(Cl)(Cl)Cl)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.42
SIGMAR1 Q99720 8/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC10 Q969S8 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GRM5 P41594 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL6487338 0.93 TMEM97 (0.47) TMEM97SIGMAR1HDAC1HDAC6SMN1; SMN2
SCHEMBL6486125 0.92 CLPP (0.42) TMEM97SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL6499661 0.90 TMEM97 (0.43) TMEM97SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL6487329 0.89 TMEM97 (0.43) TMEM97SIGMAR1HDAC1HDAC6HDAC10
SCHEMBL6501893 0.89 TMEM97 (0.43) TMEM97SIGMAR1SMN1; SMN2PTGDR2
SCHEMBL6489882 0.89 TMEM97 (0.43) TMEM97SIGMAR1HDAC1HDAC6PTGDR2
SCHEMBL6498920 0.88 OPRM1 (0.44) TMEM97SIGMAR1PTGDR2
SCHEMBL6503118 0.87 TMEM97 (0.43) TMEM97SIGMAR1HDAC1HDAC6SMN1; SMN2
SCHEMBL6487210 0.87 PTGDR2 (0.42) TMEM97SIGMAR1PTGDR2CYP1A2CYP3A4
SCHEMBL6485731 0.83 PTGDR2 (0.42) TMEM97SIGMAR1SMN1; SMN2PTGDR2MEN1

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 4243/4885HDAC1 199/4885

“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.