SCHEMBL2074559

SCHEMBL2074559

CC(C)(C)OC(=O)N1CCCCC1C(=O)N[C@H](C#N)Cc1ccc(Br)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
UCHL1 P09936 2/20 0.40
CTSC P53634 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2074561 1.00 USP30 (0.42) USP30NPC1LMNANPSR1L3MBTL1
SCHEMBL2073456 0.87 CTSC (0.42) CTSC
SCHEMBL2076012 0.85 VHL (0.46) USP30NPC1LMNANPSR1L3MBTL1
SCHEMBL2076014 0.85 VHL (0.46) USP30NPC1LMNANPSR1L3MBTL1
SCHEMBL12383351 0.85 CTSC (0.53) CTSC
SCHEMBL2073444 0.85 CTSC (0.48) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL2073446 0.85 CTSC (0.48) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL2072370 0.82 CTSC (0.47) NPC1LMNANPSR1CTSC
SCHEMBL2072367 0.82 CTSC (0.47) NPC1LMNANPSR1CTSC
SCHEMBL3662047 0.81 ALDH1A1 (0.44) USP30NPC1LMNANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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 (2 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R USP30 3892/4885NPC1 628/4885LMNA 2051/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R USP30 3892/4885NPC1 628/4885LMNA 2051/4885

“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.