SCHEMBL5116233

SCHEMBL5116233

CC(=S)NCCOc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
HTR1A P08908 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
GRK3 P35626 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL30638160 0.84 MTNR1A (0.61) KDM4EALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL5984317 0.84 HTR1A (0.41) POLBKDM4EALDH1A1L3MBTL1HTT
SCHEMBL1953722 0.79 MTNR1A (0.46) KDM4EALDH1A1L3MBTL1HTTKDM4C
SCHEMBL2569101 0.78 HTR1B (0.55) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL31482995 0.77 TSHR (0.43) POLBKDM4EALDH1A1L3MBTL1HTT
SCHEMBL13940266 0.76 HTR1B (0.56) ALDH1A1L3MBTL1HTR1AADRA1DADRA1A
SCHEMBL15756423 0.75 CA12 (0.51) POLBKDM4EL3MBTL1TSHRCYP3A4
SCHEMBL29420339 0.75 CA12 (0.51) POLBKDM4EL3MBTL1TSHRCYP3A4
SCHEMBL4190714 0.74 KDM4E (0.50) POLBKDM4EALDH1A1L3MBTL1HTT
SCHEMBL10686596 0.74 SMN1; SMN2 (0.49) HTTMTNR1ATSHRSMN1; SMN2CYP1A2

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 5 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
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 POLB 3647/4885KDM4E 3789/4885ALDH1A1 709/4885

“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.