SCHEMBL7115237

SCHEMBL7115237

N#Cc1ccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
EPHX2 P34913 1/20 0.36
CTSC P53634 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
EGLN1 Q9GZT9 3/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
EZH2 Q15910 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM1A O60341 1/20 0.33
CHEK1 O14757 1/20 0.33
GRM5 P41594 2/20 0.32
SMYD3 Q9H7B4 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
SCHEMBL7119268 0.86 CTSC (0.38) CHRNA7EPHX2CTSCNPC1RAB9A
SCHEMBL7125131 0.86 EPHX2 (0.49) CHRNA7EPHX2NPC1RAB9ASLC6A3
SCHEMBL7124938 0.85 CHRNB2 (0.43) CHRNA7NPC1RAB9AKCNQ3KCNQ2
SCHEMBL7123432 0.85 MMP2 (0.39) EPHX2CTSCNPC1RAB9AEGLN1
SCHEMBL7120754 0.85 CHRNA7 (0.39) CHRNA7SLC6A3SLC6A2SLC6A4EZH2
SCHEMBL7127540 0.83 EPHX2 (0.40) CHRNA7EPHX2NPC1RAB9ASLC6A3
SCHEMBL7122615 0.83 CHRNA7 (0.38) CHRNA7SLC6A3SLC6A2SLC6A4EZH2
SCHEMBL7120695 0.82 EPHX2 (0.38) CHRNA7EPHX2CTSCNPC1RAB9A
SCHEMBL7127437 0.82 EPHX2 (0.35) CHRNA7EPHX2NPC1RAB9ASLC6A3
SCHEMBL7121241 0.82 EPHX2 (0.35) CHRNA7EPHX2NPC1RAB9ASLC6A3

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 CHRNA7 397/4885EPHX2 194/4885CTSC 1929/4885

“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.