SCHEMBL6501727

SCHEMBL6501727

CN1CN(Cc2ccccc2)C(=O)C2=C1CCN(C(=O)OCc1cc3ccccc3o1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.40
HTR1A P08908 3/20 0.40
TMEM97 Q5BJF2 6/20 0.38
SIGMAR1 Q99720 6/20 0.38
DRD2 P14416 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2B Q13224 1/20 0.36
KDR P35968 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
SCHEMBL6487338 0.86 TMEM97 (0.47) HTR2BHTR1ATMEM97SIGMAR1MEN1
SCHEMBL6489602 0.84 TMEM97 (0.38) HTR2BHTR1ATMEM97SIGMAR1DRD2
SCHEMBL6499028 0.84 HTR2B (0.45) HTR2BHTR1ATMEM97SIGMAR1DRD2
SCHEMBL6489961 0.83 TMEM97 (0.38) TMEM97SIGMAR1KDR
SCHEMBL6486678 0.82 KDR (0.46) TMEM97SIGMAR1GRIN2BKDR
SCHEMBL6499661 0.82 TMEM97 (0.43) TMEM97SIGMAR1
SCHEMBL6489882 0.81 TMEM97 (0.43) HTR2BHTR1ATMEM97SIGMAR1MEN1
SCHEMBL6503118 0.81 TMEM97 (0.43) HTR2BHTR1ATMEM97SIGMAR1MEN1
SCHEMBL6487329 0.81 TMEM97 (0.43) HTR2BHTR1ATMEM97SIGMAR1MEN1
SCHEMBL6501893 0.81 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 HTR2B 4062/4885HTR1A 3646/4885TMEM97 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.