SCHEMBL12733403

SCHEMBL12733403

CC(C)ON(C)C(=O)[C@@H]1CCCN1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ACE P12821 4/20 0.35
REN P00797 3/20 0.35
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35
LTA4H P09960 1/20 0.35
MAPT P10636 1/20 0.35
PEPD P12955 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGS1 P23219 1/20 0.35
HTR2A P28223 1/20 0.35
PTGS2 P35354 1/20 0.35
HRH1 P35367 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL14026513 0.81 CYP3A4 (0.38) CYP3A4CYP2D6
SCHEMBL13876916 0.81 CYP3A4 (0.38) CYP3A4CYP2D6
SCHEMBL25663879 0.78 CYP3A4 (0.38) CYP3A4CYP2D6ACERENKDM4E
SCHEMBL20063354 0.78 CYP3A4 (0.38) CYP3A4CYP2D6ACERENKDM4E
SCHEMBL12733405 0.77 CYP3A4 (0.38) CYP3A4CYP2D6MAPT
SCHEMBL3930922 0.77 CYP3A4 (0.41) CYP3A4CYP2D6ACE
SCHEMBL15386556 0.77 CYP3A4 (0.41) CYP3A4CYP2D6ACE
SCHEMBL8260203 0.77 CYP3A4 (0.41) CYP3A4CYP2D6ACE
SCHEMBL14366860 0.77 CPT2 (0.36) CYP3A4CYP2D6
SCHEMBL2604734 0.75 BCHE (0.36) CYP3A4CYP2D6KDM4ELMNARAB9A

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 10 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-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-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 CYP3A4 4708/4885CYP2D6 3781/4885ACE 3803/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 CYP3A4 4804/4885CYP2D6 4012/4885ACE 3730/4885

“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.