SCHEMBL20104677

SCHEMBL20104677

CCOCCC(C)(CC)NC(=O)CBr

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPA1 O75762 1/20 0.31
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL20104674 0.89 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21227262 0.80 ALDH1A1 (0.33) ALDH1A1HPGDTRPA1
SCHEMBL18052245 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21574152 0.78 CA1 (0.31)
SCHEMBL20104616 0.75
SCHEMBL18602216 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL459746 0.67 EPHX2 (0.42) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL12751967 0.67 ALDH1A1 (0.37) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL19465134 0.67 ALDH1A1 (0.40) ALDH1A1
SCHEMBL22643596 0.66 ALDH1A1 (0.38) ALDH1A1TSHRHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640544-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors JANSSEN PHARMACEUTICA NV (BE) 2020-05-05 US disclosed
US-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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-10640544-B2 Antibody-coupled cyclic peptide tyrosine tyrosine compounds as modulators of neuropeptide Y receptors NPY1R, NPY5R, NPY2R ALDH1A1 4733/4885TSHR 169/4885HPGD 3170/4885
US-20180117170-A1 ANTIBODY-COUPLED CYCLIC PEPTIDE TYROSINE TYROSINE COMPOUNDS AS MODULATORS OF NEUROPEPTIDE Y RECEPTORS NPY1R, NPY5R, NPY2R ALDH1A1 4733/4885TSHR 169/4885HPGD 3170/4885

“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.