SCHEMBL5887642

SCHEMBL5887642

CNC(=O)c1ccc(SC2CC3CCC(C2)N3C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PLK1 P53350 2/20 0.47
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SCN9A Q15858 1/20 0.38
HPGD P15428 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
SCHEMBL14573366 0.84 OPRM1 (0.50) MEN1KMT2AOPRM1OPRD1L3MBTL1
SCHEMBL5635545 0.83 OPRM1 (0.47) MEN1KMT2AOPRM1OPRD1L3MBTL1
SCHEMBL14573363 0.83 OPRM1 (0.47) MEN1KMT2AOPRM1OPRD1L3MBTL1
SCHEMBL5635307 0.78 CRBN (0.49) MEN1KMT2AL3MBTL1TSHRHTT
SCHEMBL5635305 0.78 CRBN (0.49) MEN1KMT2AL3MBTL1TSHRHTT
SCHEMBL6420600 0.75 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1LMNAHPGD
SCHEMBL5666309 0.74 NPC1 (0.48) MEN1KMT2AHPGD
SCHEMBL14573393 0.74 NPC1 (0.48) MEN1KMT2AHPGD
SCHEMBL7940689 0.74 CHRM1 (0.50) CYP2D6CYP2C19HTR3ATSHR
SCHEMBL5636304 0.74 SLC6A2 (0.40) L3MBTL1

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-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 MEN1 3951/4885KMT2A 3520/4885PLK1 1852/4885

“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.