SCHEMBL12733477

SCHEMBL12733477

CN1CCC[C@H]1C(=O)NC1(C)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.38
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
DPP4 P27487 3/20 0.35
TSHR P16473 1/20 0.35
CNR2 P34972 2/20 0.34
HSD11B1 P28845 4/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
FAP Q12884 1/20 0.31
PITRM1 Q5JRX3 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL2604735 0.98 CYP3A4 (0.46) CYP3A4CYP2D6CHRM1WNT1GSK3B
SCHEMBL20147337 0.84 CYP2D6 (0.40) CYP3A4CYP2D6CHRM1WNT1GSK3B
SCHEMBL21651941 0.79 RET (0.37) CYP3A4CYP2D6CHRM1RET
SCHEMBL2604728 0.76 CYP3A4 (0.43) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL20070113 0.75 CYP3A4 (0.43) CYP3A4CYP2D6WNT1GSK3BDYRK1A
SCHEMBL12733490 0.75 CNR2 (0.31) CHRM1DPP4CNR2
SCHEMBL20158639 0.74 RET (0.39) CYP3A4CYP2D6CHRM1HSD11B1KDM4E
SCHEMBL20069819 0.74 RET (0.35) CYP3A4CYP2D6CHRM1RET
SCHEMBL12733478 0.74 DPP4 (0.31) DPP4CNR2
SCHEMBL172515 0.73 CYP3A4 (0.53) CYP3A4CYP2D6WNT1GSK3BDYRK1A

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 9 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-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 3781/4885CHRM1 3857/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 CYP3A4 4804/4885CYP2D6 4012/4885CHRM1 4263/4885

“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.