SCHEMBL7124856

SCHEMBL7124856

N#Cc1cc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)no1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNA7 P36544 1/20 0.33
KDM1A O60341 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
EZH2 Q15910 1/20 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
SCHEMBL7125031 0.85 NPC1 (0.37) NPC1RAB9ACHRNA7SLC6A2SLC6A4
SCHEMBL7115153 0.85 SLC6A3 (0.35) EPHX2CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7115178 0.85 SLC6A4 (0.38) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL7123917 0.84 HDAC4 (0.39) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7124866 0.84 SLC6A4 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7113482 0.82 EPHX2 (0.37) EPHX2NPC1RAB9ACHRNA7KDM1A
SCHEMBL7120638 0.82 ALDH1A1 (0.34) CHRNA7SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7120695 0.82 EPHX2 (0.38) EPHX2NPC1RAB9ACHRNA7KDM1A
SCHEMBL7125131 0.82 EPHX2 (0.49) EPHX2NPC1RAB9ACHRNA7SLC6A2
SCHEMBL7114304 0.81 PTGDR2 (0.37) EPHX2NPC1RAB9AKDM1APTGDR2

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.