SCHEMBL7120615

SCHEMBL7120615

N#Cc1ncc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)o1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
EGLN1 Q9GZT9 9/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNA7 P36544 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CNR1 P21554 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL7126733 0.85 CHRNA7 (0.35) CHRNB2CHRNA4CHRNA7SLC6A2SLC6A4
SCHEMBL7124952 0.85 SLC6A4 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7120651 0.85 CHRNA7 (0.35) CHRNB2CHRNA4CHRNA7SLC6A2SLC6A4
SCHEMBL7113482 0.84 EPHX2 (0.37) EPHX2CHRNB2CHRNA4NPC1RAB9A
SCHEMBL7114339 0.84 HDAC6 (0.39) EPHX2NPC1RAB9ACHRNA7SLC6A2
SCHEMBL7117824 0.83 HDAC4 (0.36) CHRNB2CHRNA4CHRNA7
SCHEMBL7117286 0.83 SLC6A2 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7127526 0.83 EPHX2 (0.35) EPHX2EGLN1CHRNB2CHRNA4NPC1
SCHEMBL7123303 0.82 CHRNA7 (0.33) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7118045 0.82 CHRNA7 (0.36) EPHX2CHRNB2CHRNA4CHRNA7SLC6A2

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 194/4885EGLN1 1991/4885CHRNB2 899/4885

“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.