SCHEMBL5116296

SCHEMBL5116296

CCC(NCCCOC)SC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
SLC6A4 P31645 1/20 0.34
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 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
SCHEMBL5116276 0.77 ALDH1A1 (0.38) ALDH1A1GAASLC6A4TSHRKMT2A
SCHEMBL13384870 0.74 SLC6A4 (0.41) ALDH1A1GAASLC6A4TSHRKMT2A
SCHEMBL5115915 0.71 SLC6A4 (0.34) ALDH1A1GAASLC6A4TSHR
SCHEMBL8262524 0.69
SCHEMBL28240784 0.68 SLC6A4 (0.37) ALDH1A1GAASLC6A4TSHRKMT2A
SCHEMBL28250365 0.67 ALDH1A1 (0.37) ALDH1A1GAATSHRKMT2APOLB
SCHEMBL28256836 0.67 ALDH1A1 (0.37) ALDH1A1GAATSHRKMT2AHPGD
SCHEMBL6846735 0.66
SCHEMBL6857135 0.66 ALDH1A1 (0.39) ALDH1A1GAATSHRKMT2AHPGD
SCHEMBL2856264 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-7378447-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20060178438-A1 Muscarinic agonists ELI LILLY AND COMPANY (IN) 2006-08-10 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-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 ALDH1A1 709/4885GAA 4321/4885SLC6A4 1879/4885

“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.