SCHEMBL6096368

SCHEMBL6096368

CCC(NCCCCN1CC=CN(C)C1=O)C(C)Cc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MC4R P32245 2/20 0.33
MC5R P33032 2/20 0.33
BACE1 P56817 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
MC3R P41968 1/20 0.32
CTSD P07339 2/20 0.31

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
SCHEMBL4877168 0.78 SLC6A4 (0.39) SIGMAR1MMEACECPA1ACE2
SCHEMBL4875389 0.64 MTNR1A (0.44)
SCHEMBL6092989 0.60 DPP7 (0.32)
SCHEMBL3671599 0.59 HTR2A (0.65) SIGMAR1MMEACECPA1ACE2
SCHEMBL20201774 0.58 DUT (0.51) ADRB2
SCHEMBL28020366 0.58 MME (0.55) SIGMAR1MMEACECPA1ACE2
SCHEMBL27491154 0.58 HTR2A (0.62) SIGMAR1MMEACECPA1ACE2
SCHEMBL6301138 0.57 HTR2A (0.67) SIGMAR1MMEACECPA1ACE2
SCHEMBL3677922 0.57 HTR2A (0.71) SIGMAR1HTR2AHTR2CHTR2BMC4R
SCHEMBL6798509 0.57 EPHX1 (0.47) SIGMAR1MMEACECPA1ACE2

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-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 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-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SIGMAR1 32/4885MME 968/4885ACE 1969/4885

“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.