SCHEMBL7127599

SCHEMBL7127599

COc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.49
GRM5 P41594 1/20 0.45
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
SSTR3 P32745 2/20 0.44
F10 P00742 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CNR2 P34972 1/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PLK1 P53350 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL7126701 0.91 PGR (0.48) NAAAGRM5MMP2MMP7MMP9
SCHEMBL7116944 0.90 HPGD (0.46) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7123966 0.90 GRM5 (0.43) GRM5SSTR3F10NPC1RAB9A
SCHEMBL7116981 0.89 NAAA (0.41) NAAAGRM5MMP2MMP7MMP9
SCHEMBL7120658 0.89 MMP2 (0.45) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7124896 0.89 MMP2 (0.57) MMP2MMP7MMP9MMP13NPC1
SCHEMBL7115196 0.88 MMP2 (0.43) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7124966 0.88 SLC6A4 (0.46) GRM5MMP2MMP7MMP9MMP13
SCHEMBL7121780 0.88 SLC6A3 (0.46) GRM5MMP2MMP7MMP9MMP13
SCHEMBL7121935 0.88 PARP10 (0.46) MMP2MMP7MMP9MMP13PARP10

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 4326/4885GRM5 2824/4885MMP2 3731/4885

“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.