SCHEMBL6495646

SCHEMBL6495646

CN1CN(Cc2ccccc2)CC2=C1CCN(C(=O)OCn1ccnc1)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.38
TBXAS1 P24557 3/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
QPCT Q16769 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
FAAH O00519 2/20 0.37
MGLL Q99685 2/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL6485467 0.89 TMEM97 (0.37) OPRM1OPRD1OPRK1TMEM97SIGMAR1
SCHEMBL6494147 0.85 GRM5 (0.35) CYP1A2CYP3A4OPRM1OPRD1OPRK1
SCHEMBL6490718 0.85 ALDH1A1 (0.39) CYP2D6TMEM97SIGMAR1
SCHEMBL6495760 0.83 TMEM97 (0.44) CYP1A2CYP3A4CYP2D6OPRD1OPRK1
SCHEMBL6486970 0.83 TMEM97 (0.41) POLBCYP3A4CYP2D6TMEM97SIGMAR1
SCHEMBL6496169 0.83 TMEM97 (0.48) CYP1A2CYP3A4MAPTTMEM97SIGMAR1
SCHEMBL6499143 0.82 CYP19A1 (0.37) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL6498604 0.82 TMEM97 (0.34) CYP1A2CYP3A4CYP2D6TMEM97SIGMAR1
SCHEMBL6488679 0.79 TMEM97 (0.39) CYP3A4CYP2D6TMEM97SIGMAR1
SCHEMBL6496625 0.79 TMEM97 (0.45) CYP1A2POLBCYP3A4TMEM97SIGMAR1

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 CYP19A1 1407/4885TBXAS1 866/4885CYP11B1 122/4885

“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.