SCHEMBL6498302

SCHEMBL6498302

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCc1nc3ccccc3s1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.42
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 6/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
LTA4H P09960 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
GHSR Q92847 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL6496169 0.84 TMEM97 (0.48) CYP1A2RAB9AMAPTNPC1GAA
SCHEMBL6498082 0.84 FAAH (0.39) CYP1A2LMNAMAPK1MAPTGAA
SCHEMBL6485589 0.83 GRIN2B (0.40) SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6489853 0.81 GRIN2B (0.50) CYP1A2CYP2C19LMNAL3MBTL1MAPK1
SCHEMBL6499061 0.81 NPC1 (0.38) CYP1A2RAB9ANPC1CYP3A4
SCHEMBL6495760 0.81 TMEM97 (0.44) CYP1A2KMT2AMEN1CYP3A4CYP2C9
SCHEMBL6495768 0.81 TMEM97 (0.38) LMNAMAPTGAAKMT2AALDH1A1
SCHEMBL6496625 0.80 TMEM97 (0.45) CYP1A2LMNAPOLBSMN1; SMN2KMT2A
SCHEMBL6497047 0.80 SMN1; SMN2 (0.43) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL6487401 0.79 TMEM97 (0.39) CYP1A2LMNAMAPTGAAKMT2A

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 CYP1A2 787/4885CYP2C19 303/4885LMNA 3536/4885

“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.