SCHEMBL7169331

SCHEMBL7169331

COc1ccc(S(=O)(=O)N(c2cccc(C(C)C)c2)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
LMNA P02545 2/20 0.48
ACHE P22303 4/20 0.47
BACE1 P56817 1/20 0.45
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL7166853 0.90 CHRM2 (0.54) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7164480 0.90 ACHE (0.55) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7168742 0.88 CHRM2 (0.51) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7257312 0.88 ALDH1A1 (0.56) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7166368 0.88 ALDH1A1 (0.52) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7176795 0.87 ALDH1A1 (0.51) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7139303 0.87 CHRM2 (0.55) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7141686 0.86 CHRM2 (0.61) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7167826 0.86 ALDH1A1 (0.55) ALDH1A1CHRM2CHRM3LMNAACHE
SCHEMBL7167878 0.85 ALDH1A1 (0.49) ALDH1A1CHRM2CHRM3LMNAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176461-A1 Aminopiperidines NPS ALLELIX CORP. (CANADA CORPORATION) (CA) 2003-09-18 US claimed
EP-1296950-A2 AMINOPIPERIDINES FOR USE AS GLYT-1 INHIBITORS NPS Allelix Corp. (CA) 2003-04-02 EP claimed
WO-2001081308-A2 AMINOPIPERIDINES FOR USE AS GLYT-1 INHIBITORS NPS ALLELIX CORP. (CA) 2001-11-01 WO claimed
US-20030176461-A1 Aminopiperidines NPS ALLELIX CORP. (CANADA CORPORATION) (CA) 2003-09-18 US disclosed
EP-1296950-A2 AMINOPIPERIDINES FOR USE AS GLYT-1 INHIBITORS NPS Allelix Corp. (CA) 2003-04-02 EP disclosed
WO-2001081308-A2 AMINOPIPERIDINES FOR USE AS GLYT-1 INHIBITORS NPS ALLELIX CORP. (CA) 2001-11-01 WO 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-20030176461-A1 Aminopiperidines SLC1A2, SLC6A4, SLC1A1 ALDH1A1 1218/4885CHRM2 320/4885CHRM3 369/4885

“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.