SCHEMBL7122473

SCHEMBL7122473

N#Cc1ccnc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
P2RX3 P56373 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRM5 P41594 2/20 0.37
SCN9A Q15858 8/20 0.37
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
AR P10275 1/20 0.35
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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 0.86 EPHX2 (0.49) EPHX2NPC1RAB9ASCN9AMMP2
SCHEMBL7121263 0.86 EPHX2 (0.42) EPHX2P2RX3NPC1RAB9ASCN9A
SCHEMBL7124884 0.85 POLB (0.39) NPC1RAB9AGRM5MMP2MMP7
SCHEMBL7123363 0.85 MMP13 (0.40) GRM5SCN9AMMP2MMP7MMP9
SCHEMBL7116799 0.85 KDR (0.39) EPHX2P2RX3NPC1RAB9ASCN9A
SCHEMBL7114437 0.85 LOX (0.40) RAB9AGRM5LOXLOXL2
SCHEMBL7125270 0.85 LOXL2 (0.38) SCN9AMMP2MMP7MMP9MMP13
SCHEMBL7121133 0.83 SLC6A2 (0.47) EPHX2NPC1RAB9AGRM5SCN9A
SCHEMBL7119303 0.83 SCN9A (0.44) NPC1RAB9ASCN9AHCRTR1HCRTR2
SCHEMBL7125166 0.82 KMT2A (0.40) GRM5SCN9AMMP2MMP7MMP9

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 194/4885P2RX3 941/4885NPC1 267/4885

“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.