SCHEMBL7246376

SCHEMBL7246376

CC(=O)N1CCN(C(CO)OCCCN2CCN(C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PAOX Q6QHF9 1/20 0.40
PIK3CD O00329 1/20 0.39
DRD3 P35462 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
SLC6A4 P31645 1/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
DRD2 P14416 1/20 0.36
KDM1A O60341 1/20 0.36
HTR7 P34969 3/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
EPHX2 P34913 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL7607654 0.80 HRH2 (0.38) KDM4EALDH1A1HRH3HRH2HRH1
SCHEMBL7246374 0.78 PIK3CD (0.47) CYP1A2TDP1PAOXPIK3CDDRD3
SCHEMBL4498845 0.78 DRD3 (0.45) CYP1A2TDP1PIK3CDDRD3KDM4E
SCHEMBL1719282 0.75 ALDH1A1 (0.35) PAOXKDM4EALDH1A1USP2POLB
SCHEMBL4498843 0.73 PIK3CD (0.51) CYP1A2TDP1PIK3CDDRD3KDM4E
SCHEMBL21659718 0.73 HRH3 (0.44) PIK3CDDRD3KDM4EALDH1A1USP2
SCHEMBL6043046 0.72 DRD3 (0.53) CYP1A2TDP1PIK3CDDRD3KDM4E
SCHEMBL2573857 0.71 ALDH1A1 (0.40) CYP1A2TDP1KDM4EALDH1A1USP2
SCHEMBL5492084 0.70 CNR2 (0.35) CYP1A2KDM4EALDH1A1HRH3POLB
SCHEMBL297316 0.69 CYP1A2 (0.52) CYP1A2TDP1PAOXPIK3CDDRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186966-A1 Amide derivatives ASTRAZENECA AB 2003-10-02 US claimed

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-20030186966-A1 Amide derivatives IL6, IL6ST, IFNG CYP1A2 244/4885TDP1 3741/4885PAOX 1910/4885

“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.