SCHEMBL7126693

SCHEMBL7126693

CC(=O)c1coc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

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
KLKB1 P03952 1/20 0.33
EZH2 Q15910 1/20 0.32
ADAM17 P78536 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F10 P00742 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
NAAA Q02083 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL7115206 0.88 ADAM17 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7122352 0.87 MMP2 (0.34) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7123406 0.86 F10 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7127586 0.86 MMP2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7123287 0.85 EPHX2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116853 0.84 SCN9A (0.35) MMP2MMP7MMP9MMP13SCN9A
SCHEMBL7116944 0.82 HPGD (0.46) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7121682 0.82 ALDH1A1 (0.36) ADAM17
SCHEMBL7114294 0.82 MMP2 (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116221 0.82 HTR3E (0.36) MMP2MMP7MMP9MMP13HTR3E

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.