SCHEMBL7123882

SCHEMBL7123882

CC(=O)Nc1coc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HTR4 Q13639 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
P2RY14 Q15391 1/20 0.32
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32

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
SCHEMBL7122699 0.88 MMP2 (0.36) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7116815 0.87 EZH2 (0.37) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7124977 0.87 MMP2 (0.41) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7120731 0.86 HTR4 (0.40) MMP2MMP7MMP9MMP13HTR4
SCHEMBL7121260 0.85 GRM5 (0.37) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7120613 0.83 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7124883 0.83 EPHX2 (0.40) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7118041 0.83 SCN9A (0.39) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7124006 0.82 MAPT (0.40) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7114485 0.82 CHRNA7 (0.35) MAPTHTTABL1RIN1SMYD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 MMP2 3731/4885MMP7 2061/4885MMP9 3029/4885

“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.