SCHEMBL7124879

SCHEMBL7124879

COc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.36
EZH2 Q15910 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SSTR3 P32745 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL7127608 0.92 MMP13 (0.38) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7125195 0.88 MMP2 (0.36) MMP2MMP7MMP9MMP13L3MBTL1
SCHEMBL7115059 0.87 MMP2 (0.38) MMP2MMP7MMP9MMP13GRM5
SCHEMBL7124911 0.87 PTGDR2 (0.39) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7124906 0.87 PTGDR2 (0.39) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7126982 0.87 PTGDR2 (0.39) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7127599 0.87 NAAA (0.49) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7120613 0.86 MMP2 (0.35) MMP2MMP7MMP9MMP13L3MBTL1
SCHEMBL7117119 0.85 NAAA (0.39) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7124043 0.85 MMP2 (0.35) NAAAMMP2MMP7MMP9MMP13

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 NAAA 4326/4885MMP2 3731/4885MMP7 2061/4885

“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.