SCHEMBL12733489

SCHEMBL12733489

CN1C[C@H](Cl)C[C@H]1C(=O)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.32
CACNA1H O95180 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL12733495 1.00 L3MBTL1 (0.34) L3MBTL1POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL12733491 0.83 POLB (0.43) L3MBTL1POLBALDH1A1
SCHEMBL12733482 0.81 DPP4 (0.35) L3MBTL1POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL12733475 0.81 DPP4 (0.35) L3MBTL1POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL12733497 0.78 SSTR4 (0.49)
SCHEMBL14593909 0.77 L3MBTL1 (0.50) L3MBTL1POLBCYP3A4ALDH1A1EPHX2
SCHEMBL12733488 0.77 CYP2C9 (0.34) L3MBTL1CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL12733486 0.77 CYP2C9 (0.34) L3MBTL1CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL13121053 0.75 HTR2A (0.32) L3MBTL1ALDH1A1LMNA
SCHEMBL7303404 0.74 HDAC8 (0.43) POLBCYP3A4CYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 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-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 L3MBTL1 3590/4885POLB 384/4885CYP3A4 4708/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 L3MBTL1 3056/4885POLB 308/4885CYP3A4 4804/4885

“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.