SCHEMBL12733482

SCHEMBL12733482

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL12733475 1.00 DPP4 (0.35) DPP4L3MBTL1DPP7DPP8POLB
SCHEMBL12733476 0.84 POLB (0.42) DPP4DPP7DPP8POLBALDH1A1
SCHEMBL12733495 0.81 L3MBTL1 (0.34) L3MBTL1POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL12733489 0.81 L3MBTL1 (0.34) L3MBTL1POLBCYP3A4CYP2C19ALDH1A1
SCHEMBL2501850 0.80 PEPD (0.34)
SCHEMBL1154977 0.80 DPP4 (0.40) DPP4L3MBTL1DPP7DPP8POLB
SCHEMBL15745572 0.79 PEPD (0.33) DPP4DPP8CYP3A4CYP2C19ALDH1A1
SCHEMBL12733485 0.78 SSTR4 (0.48)
SCHEMBL10120780 0.78 DPP4 (0.33) DPP4DPP7DPP8
SCHEMBL12733471 0.78 TAS1R3 (0.36) DPP4DPP8CYP3A4CYP2C19ALDH1A1

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 8 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
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 DPP4 3919/4885L3MBTL1 3590/4885DPP7 3008/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 DPP4 4251/4885L3MBTL1 3056/4885DPP7 3312/4885

“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.