SCHEMBL6486970

SCHEMBL6486970

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCN1Cc3ccccc3C1)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.41
SIGMAR1 Q99720 8/20 0.41
PRMT5 O14744 4/20 0.41
WDR77 Q9BQA1 4/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL6490718 0.92 ALDH1A1 (0.39) TMEM97SIGMAR1CYP2D6HPGDKDM4E
SCHEMBL6485467 0.88 TMEM97 (0.37) TMEM97SIGMAR1
SCHEMBL6496169 0.88 TMEM97 (0.48) TMEM97SIGMAR1CYP3A4HPGDMEN1
SCHEMBL6496625 0.83 TMEM97 (0.45) TMEM97SIGMAR1CYP3A4POLBMEN1
SCHEMBL6495646 0.83 CYP19A1 (0.38) TMEM97SIGMAR1CYP3A4CYP2D6POLB
SCHEMBL6498604 0.83 TMEM97 (0.34) TMEM97SIGMAR1CYP3A4CYP2D6NAMPT
SCHEMBL6495793 0.83 ALDH1A1 (0.41) SIGMAR1CYP2D6KDM4EMEN1KMT2A
SCHEMBL6494147 0.82 GRM5 (0.35) TMEM97SIGMAR1CYP3A4MEN1KMT2A
SCHEMBL6495760 0.82 TMEM97 (0.44) TMEM97SIGMAR1CYP3A4CYP2D6MEN1
SCHEMBL6488679 0.82 TMEM97 (0.39) TMEM97SIGMAR1CYP3A4CYP2D6CYP2C19

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 4243/4885PRMT5 476/4885

“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.