SCHEMBL7124883

SCHEMBL7124883

N#Cc1coc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
SCN9A Q15858 8/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
USP30 Q70CQ3 2/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
EZH2 Q15910 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 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
SCHEMBL7120572 0.87 EPHX2 (0.49) EPHX2NPC1RAB9AMMP2MMP7
SCHEMBL7121260 0.85 GRM5 (0.37) MMP2MMP7MMP9MMP13PTGDR2
SCHEMBL7116815 0.85 EZH2 (0.37) MMP2MMP7MMP9MMP13PTGDR2
SCHEMBL7120731 0.84 HTR4 (0.40) MMP2MMP7MMP9MMP13PTGDR2
SCHEMBL7122699 0.84 MMP2 (0.36) RAB9AMMP2MMP7MMP9MMP13
SCHEMBL7123882 0.83 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7118041 0.83 SCN9A (0.39) MMP2MMP7MMP9MMP13PTGDR2
SCHEMBL7126982 0.82 PTGDR2 (0.39) EPHX2NPC1RAB9AMMP2MMP7
SCHEMBL7124906 0.82 PTGDR2 (0.39) EPHX2NPC1RAB9AMMP2MMP7
SCHEMBL7121133 0.82 SLC6A2 (0.47) EPHX2NPC1RAB9AMMP2MMP7

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 EPHX2 194/4885NPC1 267/4885RAB9A 491/4885

“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.