SCHEMBL7127352

SCHEMBL7127352

N#Cc1csc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

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
SCN9A Q15858 8/20 0.35
PTGDR2 Q9Y5Y4 2/20 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
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7113591 0.87 MMP2 (0.39) MMP2MMP7MMP9MMP13PTGDR2
SCHEMBL7120572 0.87 EPHX2 (0.49) EPHX2NPC1RAB9AMMP2MMP7
SCHEMBL7116316 0.86 EZH2 (0.37) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7125251 0.85 MMP2 (0.36) RAB9AMMP2MMP7MMP9MMP13
SCHEMBL7123997 0.84 HTR4 (0.40) NPC1RAB9AMMP2MMP7MMP9
SCHEMBL7127574 0.83 SCN9A (0.38) MMP2MMP7MMP9MMP13SCN9A
SCHEMBL7120369 0.82 EPHX2 (0.36) EPHX2NPC1RAB9AMMP2MMP7
SCHEMBL7121133 0.82 SLC6A2 (0.47) EPHX2NPC1RAB9AMMP2MMP7
SCHEMBL7122675 0.82 MMP2 (0.34) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116915 0.82 EPHX2 (0.40) EPHX2NPC1RAB9AEZH2KDM1A

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.