SCHEMBL12508317

SCHEMBL12508317

CNC(=O)C1CCC(C(=O)NCC(C)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.44
KMT2A Q03164 3/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNA7 P36544 1/20 0.41
TRPA1 O75762 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
EPHX1 P07099 1/20 0.37
NAAA Q02083 1/20 0.36
POLB P06746 2/20 0.35
NAMPT P43490 1/20 0.35
HTT P42858 1/20 0.35
HCRTR2 O43614 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
DPP4 P27487 1/20 0.34
PREP P48147 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
SCHEMBL12019238 0.92 KMT2A (0.48) PSMB5KMT2ATRPA1SMN1; SMN2HSD17B10
SCHEMBL18101858 0.85 KMT2A (0.40) PSMB5KMT2ATRPA1SMN1; SMN2HSD17B10
SCHEMBL13574437 0.82 KMT2A (0.41) PSMB5KMT2ATRPA1SMN1; SMN2HSD17B10
SCHEMBL25781893 0.82 KMT2A (0.41) PSMB5KMT2ATRPA1SMN1; SMN2HSD17B10
SCHEMBL19302833 0.82 EPHX1 (0.57) PSMB5SMN1; SMN2HSD17B10EPHX1NAAA
SCHEMBL5855995 0.82 EPHX1 (0.57) PSMB5SMN1; SMN2HSD17B10EPHX1NAAA
SCHEMBL2576766 0.81 KMT2A (0.44) PSMB5KMT2ACHRNB2CHRNA4CHRNA7
SCHEMBL22697173 0.81 OPRM1 (0.42) PSMB5KMT2ATRPA1SMN1; SMN2HSD17B10
SCHEMBL2576767 0.81 KMT2A (0.44) PSMB5KMT2ACHRNB2CHRNA4CHRNA7
SCHEMBL5909567 0.80 CHRNB2 (0.50) KMT2ACHRNB2CHRNA4CHRNA7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-07-14 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-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC7 PSMB5 994/4885KMT2A 3329/4885CHRNB2 3988/4885

“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.