SCHEMBL12410375

SCHEMBL12410375

COC[C@H]1CCCC1C(=O)c1cccc(CN2C(=N)NC(C)(c3cccc(Br)c3)C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
BACE1 P56817 3/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NTRK1 P04629 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7566126 0.93 HDAC6 (0.39) KMT2AMEN1MAPTHTTHDAC6
SCHEMBL7539492 0.84 RXFP1 (0.41) RXFP1KMT2AMEN1BACE1
SCHEMBL2957453 0.76 RAB9A (0.45) KMT2AMEN1BACE1HDAC6
SCHEMBL2957451 0.76 RAB9A (0.45) KMT2AMEN1BACE1HDAC6
SCHEMBL2970444 0.74 RXFP1 (0.43) RXFP1KMT2AMEN1MAPTTP53
SCHEMBL13081659 0.74 HCRTR1 (0.40) KMT2AMEN1
SCHEMBL3216494 0.73 RXFP1 (0.58) RXFP1KMT2AMEN1BACE1MAPT
SCHEMBL2971902 0.73 LMNA (0.40) KMT2AMEN1BACE1MAPTTP53
SCHEMBL2971900 0.73 LMNA (0.40) KMT2AMEN1BACE1MAPTTP53
SCHEMBL7563909 0.73 RXFP1 (0.45) RXFP1KMT2AMEN1BACE1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 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-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 RXFP1 442/4885KMT2A 4458/4885MEN1 1192/4885

“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.