SCHEMBL7123977

SCHEMBL7123977

N#Cc1csc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX2 P34913 1/20 0.35
CHRNA7 P36544 1/20 0.34
KDM1A O60341 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
EZH2 Q15910 1/20 0.30
GRM5 P41594 2/20 0.30

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
SCHEMBL7122527 0.85 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7123302 0.85 MAPT (0.38) NPC1RAB9ACHRNA7SLC6A2SLC6A4
SCHEMBL7115023 0.84 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7122440 0.83 HDAC6 (0.37) NPC1RAB9AEPHX2CHRNA7KDM1A
SCHEMBL7127607 0.83 CHRNA7 (0.34) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7124909 0.83 EPHX2 (0.35) NPC1RAB9AEPHX2KDM1AEZH2
SCHEMBL7121241 0.83 EPHX2 (0.35) NPC1RAB9AEPHX2CHRNA7KDM1A
SCHEMBL7120695 0.83 EPHX2 (0.38) NPC1RAB9AEPHX2CHRNA7KDM1A
SCHEMBL7122334 0.83 SLC6A2 (0.37) CHRNA7KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL7125131 0.82 EPHX2 (0.49) NPC1RAB9AEPHX2CHRNA7SLC6A2

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 NPC1 267/4885RAB9A 491/4885EPHX2 194/4885

“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.