SCHEMBL12733405

SCHEMBL12733405

CCON(C)C(=O)[C@@H]1CCCN1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA7 P36544 3/20 0.35
CHRNA4 P43681 3/20 0.35
BCHE P06276 3/20 0.35
CHRNA5 P30532 2/20 0.35
MMP9 P14780 2/20 0.33
MMP3 P08254 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2604734 0.88 BCHE (0.36) CYP3A4CYP2D6ALDH1A1CPT2CPT1A
SCHEMBL13876916 0.81 CYP3A4 (0.38) CYP3A4CYP2D6ALDH1A1CPT2CPT1A
SCHEMBL14026513 0.81 CYP3A4 (0.38) CYP3A4CYP2D6ALDH1A1CPT2CPT1A
SCHEMBL12378546 0.81 ALDH1A1 (0.42) ALDH1A1CPT2CPT1AMAPT
SCHEMBL12733402 0.81 SIGMAR1 (0.48) SIGMAR1CPT2CPT1ACHRNB2CHRNA7
SCHEMBL12733403 0.77 CYP3A4 (0.35) CYP3A4CYP2D6MAPT
SCHEMBL15386556 0.77 CYP3A4 (0.41) CYP3A4CYP2D6BCHE
SCHEMBL3930922 0.77 CYP3A4 (0.41) CYP3A4CYP2D6BCHE
SCHEMBL8260203 0.77 CYP3A4 (0.41) CYP3A4CYP2D6BCHE
SCHEMBL14366860 0.77 CPT2 (0.36) CYP3A4CYP2D6SIGMAR1CPT2CPT1A

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 3781/4885SIGMAR1 506/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 CYP3A4 4804/4885CYP2D6 4012/4885SIGMAR1 661/4885

“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.