SCHEMBL4141669

SCHEMBL4141669

CC(C)C[C@H](NC(=O)C1CCCC1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PSMB5 P28074 5/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CAPN1 P07384 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL20951584 0.85 EED (0.43) SMN1; SMN2GAAALOX15MAPK1PSMB5
SCHEMBL20951586 0.85 EED (0.43) SMN1; SMN2GAAALOX15MAPK1PSMB5
SCHEMBL9832137 0.85 ALDH1A1 (0.56) TSHRSMN1; SMN2GAAALOX15MAPK1
SCHEMBL7897832 0.85 ALDH1A1 (0.56) TSHRSMN1; SMN2GAAALOX15MAPK1
SCHEMBL20951418 0.84 CTSB (0.47) CTSSCTSK
SCHEMBL20951417 0.84 CTSB (0.47) CTSSCTSK
SCHEMBL6562939 0.83 ALDH1A1 (0.54) TSHRSMN1; SMN2GAAALOX15MAPK1
SCHEMBL8581694 0.83 ALDH1A1 (0.54) TSHRSMN1; SMN2GAAALOX15MAPK1
SCHEMBL7896986 0.83 ALDH1A1 (0.54) TSHRSMN1; SMN2GAAALOX15MAPK1
SCHEMBL9829273 0.83 ALDH1A1 (0.54) TSHRSMN1; SMN2GAAALOX15MAPK1

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 TSHR 2168/4885SMN1; SMN2 2937/4885GAA 3715/4885

“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.