SCHEMBL7122401

SCHEMBL7122401

N#Cc1cccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
CHRNA7 P36544 1/20 0.41
GRM5 P41594 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK14 Q16539 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
EZH2 Q15910 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL7125131 0.91 EPHX2 (0.49) EPHX2CHRNA7NPC1RAB9ASLC6A2
SCHEMBL7127540 0.87 EPHX2 (0.40) EPHX2CHRNA7GRM5NPC1RAB9A
SCHEMBL7121781 0.85 CHRNA7 (0.44) CHRNA7EZH2
SCHEMBL7127524 0.85 CHRNA7 (0.55) EPHX2CHRNA7NPC1RAB9AEZH2
SCHEMBL7127459 0.85 CHRNA7 (0.43) CHRNA7GRM5NPC1RAB9AEZH2
SCHEMBL7125274 0.85 CHRNA7 (0.43) CHRNA7SLC6A2SLC6A3SLC6A4DDB1
SCHEMBL7124028 0.84 CHRNA7 (0.43) CHRNA7GRM5SLC6A2SLC6A3SLC6A4
SCHEMBL7120639 0.84 CHRNA7 (0.43) CHRNA7SLC6A2SLC6A3SLC6A4EZH2
SCHEMBL7127598 0.83 EPHX2 (0.39) EPHX2CHRNA7GRM5NPC1RAB9A
SCHEMBL7116915 0.83 EPHX2 (0.40) EPHX2CHRNA7GRM5NPC1RAB9A

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 194/4885CHRNA7 397/4885GRM5 2824/4885

“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.