SCHEMBL2073064

SCHEMBL2073064

CC(C)(C)OC(=O)N1CCCCC1C(=O)N[C@H](C#N)Cc1cccc(I)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP30 Q70CQ3 1/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
UCHL1 P09936 1/20 0.40
CTRB1 P17538 1/20 0.40
CTSC P53634 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ACE P12821 1/20 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
SCHEMBL2073065 1.00 ALDH1A1 (0.45) ALDH1A1LMNANPSR1USP30NPC1
SCHEMBL2073446 0.89 CTSC (0.48) ALDH1A1LMNANPSR1NPC1MEN1
SCHEMBL2073444 0.89 CTSC (0.48) ALDH1A1LMNANPSR1NPC1MEN1
SCHEMBL2076050 0.86 CTSC (0.46) CTRB1CTSC
SCHEMBL2072188 0.81 CTSC (0.53) LMNANPSR1USP30NPC1MEN1
SCHEMBL2072191 0.81 CTSC (0.53) LMNANPSR1USP30NPC1MEN1
SCHEMBL2072367 0.81 CTSC (0.47) LMNANPSR1NPC1CTSC
SCHEMBL3661633 0.81 ALDH1A1 (0.47) ALDH1A1LMNANPSR1USP30NPC1
SCHEMBL2072370 0.81 CTSC (0.47) LMNANPSR1NPC1CTSC
SCHEMBL2074559 0.80 USP30 (0.42) ALDH1A1LMNANPSR1USP30NPC1

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 ALDH1A1 1620/4885LMNA 2051/4885NPSR1 80/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R ALDH1A1 1620/4885LMNA 2051/4885NPSR1 80/4885

“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.