SCHEMBL13675436

SCHEMBL13675436

CCCCC(C)C(N)CNC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
SLC15A1 P46059 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
DPP7 Q9UHL4 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CYP2D6 P10635 2/20 0.31
GMNN O75496 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
SCHEMBL13675434 0.86 METAP1 (0.39) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL13673864 0.81 OPRM1 (0.38) OPRM1SLC15A1ALDH1A1CYP3A4TSHR
SCHEMBL23985915 0.79 ALDH1A1 (0.39) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL1556477 0.79 OPRM1 (0.48) OPRM1SLC15A1ALDH1A1CYP3A4DPP7
SCHEMBL21674290 0.77 OPRM1 (0.48) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL22193776 0.77 OPRM1 (0.46) OPRM1SLC15A1ALDH1A1CYP3A4DPP7
SCHEMBL2416094 0.77 OPRM1 (0.46) OPRM1SLC15A1ALDH1A1CYP3A4TSHR
SCHEMBL13675435 0.77
SCHEMBL25668949 0.76 ALDH1A1 (0.37) OPRM1ALDH1A1CYP3A4TSHRMEN1
SCHEMBL8227678 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT OPRM1 4217/4885S1PR2 3004/4885S1PR1 3437/4885

“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.