SCHEMBL12733385

SCHEMBL12733385

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
GNAI3 P08754 3/20 0.52
GNAO1 P09471 3/20 0.52
GNAI1 P63096 3/20 0.52
PRCP P42785 3/20 0.51
FKBP1A P62942 1/20 0.49
EPHX1 P07099 2/20 0.48
KDM4E B2RXH2 1/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL12733386 1.00 NAAA (0.56) NAAANPSR1GNAI3GNAO1GNAI1
SCHEMBL12733395 1.00 NAAA (0.56) NAAANPSR1GNAI3GNAO1GNAI1
SCHEMBL17817483 1.00 NAAA (0.56) NAAANPSR1GNAI3GNAO1GNAI1
SCHEMBL12733388 0.98 NPSR1 (0.54) NAAANPSR1GNAI3GNAO1GNAI1
SCHEMBL10304470 0.95 NAAA (0.59) NAAANPSR1GNAI3GNAO1GNAI1
SCHEMBL12733387 0.94 NPSR1 (0.59) NAAANPSR1GNAI3GNAO1GNAI1
SCHEMBL21696640 0.94 NPSR1 (0.59) NAAANPSR1GNAI3GNAO1GNAI1
SCHEMBL12733389 0.87 NPSR1 (0.48) NAAANPSR1FKBP1AEPHX1KDM4E
SCHEMBL26343602 0.87 NPSR1 (0.48) NAAANPSR1FKBP1AEPHX1KDM4E
SCHEMBL5100899 0.83 NPSR1 (0.45) NPSR1FKBP1A

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 NAAA 2554/4885NPSR1 877/4885GNAI3 3704/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 NAAA 3051/4885NPSR1 759/4885GNAI3 3341/4885

“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.