SCHEMBL21097014

SCHEMBL21097014

C=CC(=O)N1CC[C@H](C(=O)NC(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.44
JAK3 P52333 6/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTT P42858 1/20 0.39
TEAD1 P28347 2/20 0.39

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
SCHEMBL26073815 1.00 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TSHRPOLB
SCHEMBL26073805 0.91 KMT2A (0.62) MEN1KMT2ASMN1; SMN2TSHRPOLB
SCHEMBL25837407 0.83 ALDH1A1 (0.40) SMN1; SMN2JAK3TEAD1
SCHEMBL26502211 0.83 ALDH1A1 (0.40) SMN1; SMN2JAK3TEAD1
SCHEMBL26073809 0.81 KMT2A (0.47) MEN1KMT2ASMN1; SMN2JAK3KDM4E
SCHEMBL25514716 0.80 KMT2A (0.59) MEN1KMT2ASMN1; SMN2TSHRPOLB
SCHEMBL26077171 0.79 KDM5A (0.46) KMT2AJAK3KDM4ELMNATEAD1
SCHEMBL21097015 0.79 LMNA (0.46) KMT2ASMN1; SMN2POLBJAK3LMNA
SCHEMBL19229767 0.76 TEAD1 (0.47) JAK3TEAD1
SCHEMBL9921877 0.76 SMN1; SMN2 (0.53) SMN1; SMN2TSHRPOLBGAAHTT

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-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 AILERON THERAPEUTICS, INC. 2019-06-20 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-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 BCL2L11, BCL2L1, BCL2L13 MEN1 1644/4885KMT2A 3692/4885SMN1; SMN2 4137/4885

“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.