SCHEMBL7120731

SCHEMBL7120731

COc1coc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.40
GRM5 P41594 1/20 0.39
F10 P00742 1/20 0.38
NAAA Q02083 1/20 0.38
SSTR3 P32745 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EZH2 Q15910 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL7116815 0.89 EZH2 (0.37) HTR4GRM5MMP2MMP7MMP9
SCHEMBL7122699 0.88 MMP2 (0.36) HTR4GRM5F10L3MBTL1MMP2
SCHEMBL7121260 0.87 GRM5 (0.37) GRM5SSTR3MMP2MMP7MMP9
SCHEMBL7123882 0.86 MMP2 (0.35) HTR4GRM5MMP2MMP7MMP9
SCHEMBL7127599 0.86 NAAA (0.49) GRM5F10NAAASSTR3L3MBTL1
SCHEMBL7124879 0.85 NAAA (0.40) GRM5F10NAAASSTR3L3MBTL1
SCHEMBL7118041 0.84 SCN9A (0.39) MMP2MMP7MMP9MMP13PTGDR2
SCHEMBL7124883 0.84 EPHX2 (0.40) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7126701 0.82 PGR (0.48) GRM5NAAAOPRM1OPRD1MMP2
SCHEMBL7120607 0.82 SLC6A2 (0.37) HTR4GRM5F10SSTR3L3MBTL1

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 HTR4 2815/4885GRM5 2824/4885F10 4216/4885

“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.