SCHEMBL7126701

SCHEMBL7126701

COc1cccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.48
MTNR1B P49286 7/20 0.47
MTNR1A P48039 6/20 0.47
GRM5 P41594 2/20 0.45
MMP13 P45452 2/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
EZH2 Q15910 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
NPC1 O15118 2/20 0.43
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7127599 0.91 NAAA (0.49) GRM5MMP13MMP2MMP7MMP9
SCHEMBL7116942 0.90 MMP2 (0.43) PGRMTNR1BMTNR1AGRM5MMP13
SCHEMBL7127416 0.88 NPC1 (0.47) GRM5MMP13MMP2MMP7MMP9
SCHEMBL7124896 0.88 MMP2 (0.57) PGRMMP13MMP2MMP7MMP9
SCHEMBL7116981 0.88 NAAA (0.41) GRM5MMP13MMP2MMP7MMP9
SCHEMBL7124023 0.87 MMP2 (0.45) MMP13MMP2MMP7MMP9EZH2
SCHEMBL7127654 0.87 GRM5 (0.47) GRM5MMP13MMP2MMP7MMP9
SCHEMBL7114486 0.87 KCNH2 (0.48) GRM5MMP13MMP2MMP7MMP9
SCHEMBL7125268 0.86 PARP10 (0.53) MMP13MMP2MMP7MMP9EZH2
SCHEMBL7121133 0.85 SLC6A2 (0.47) GRM5MMP13MMP2MMP7MMP9

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 PGR 1404/4885MTNR1B 383/4885MTNR1A 1089/4885

“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.