SCHEMBL4017798

SCHEMBL4017798

N#CCC(=O)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE4B Q07343 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
PTPN1 P18031 1/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP10 Q53GL7 1/20 0.35
DHFR P00374 1/20 0.34

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
SCHEMBL6210554 0.85 MEN1 (0.51) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL5722254 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL9860211 0.83 MEN1 (0.49) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL1186911 0.82 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL862849 0.81 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL225085 0.80 KMT2A (0.65) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL6202908 0.80 MEN1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL862848 0.80 KMT2A (0.49) MEN1KMT2ALMNANPC1PDE4B
SCHEMBL863077 0.80 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL26452181 0.79 PARP10 (0.58) MEN1KMT2ASMN1; SMN2LMNAPDE4B

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
WO-2009091813-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-23 WO disclosed
US-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS WYETH (US) 2009-07-16 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-20090181952-A1 COMPOUNDS USEFUL AS ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA2, CHRNA6 MEN1 3921/4885KMT2A 2527/4885SMN1; SMN2 1302/4885

“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.