SCHEMBL13254152

SCHEMBL13254152

CCCCCNC(=O)CCCCCN

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.82
CASP2 P42575 1/20 0.69
FAAH O00519 4/20 0.66
NAAA Q02083 1/20 0.65
DNM1 Q05193 2/20 0.62
EPHX2 P34913 3/20 0.59
GNAI3 P08754 1/20 0.57
GNAO1 P09471 1/20 0.57
GNAI1 P63096 1/20 0.57
PAOX Q6QHF9 2/20 0.55
EPHX1 P07099 2/20 0.53

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
SCHEMBL13855952 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL16369362 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL18251841 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL4886198 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL23796509 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL24591641 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL24682133 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL23729790 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL20536079 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1
SCHEMBL17466174 1.00 SLC6A5 (0.82) SLC6A5CASP2FAAHNAAADNM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 WO disclosed
US-8357654-B2 Multimeric CD40 ligands, method for preparing same and use thereof for preparing drugs CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-22 US disclosed
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 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 (1 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-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CD40, CD40LG, TNFSF10 SLC6A5 3289/4885CASP2 2294/4885FAAH 4564/4885

“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.