SCHEMBL13048451

SCHEMBL13048451

CCCCNC(=O)C1CCC(CN2C(=N)NC(CC3CCCCC3)(CC3CCCCC3)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
NAAA Q02083 1/20 0.43
BACE1 P56817 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7529931 0.86 BACE1 (0.40) L3MBTL1BACE1MEN1KMT2ATDP1
SCHEMBL7519186 0.83 BACE1 (0.45) L3MBTL1BACE1
SCHEMBL7523751 0.83 EPHX1 (0.43) BACE1ALDH1A1
SCHEMBL7523327 0.83 EPHX1 (0.43) BACE1ALDH1A1
SCHEMBL10305496 0.79 BACE1 (0.35) BACE1
SCHEMBL7520355 0.78 NAAA (0.49) L3MBTL1NAAASMN1; SMN2GAAMEN1
SCHEMBL8288188 0.78 BACE1 (0.34) BACE1
SCHEMBL7518496 0.77 BACE1 (0.65) BACE1SMN1; SMN2LMNACYP2C19
SCHEMBL7530118 0.77 NAAA (0.51) L3MBTL1NAAASMN1; SMN2GAAMEN1
SCHEMBL13557912 0.77 NAAA (0.47) L3MBTL1NAAASMN1; SMN2GAATP53

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 L3MBTL1 1880/4885NAAA 734/4885BACE1 8/4885

“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.