SCHEMBL5420679

SCHEMBL5420679

C=C(CCC(c1ccccc1)N(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 3/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP2C19 P33261 1/20 0.33
SRC P12931 1/20 0.33
MTOR P42345 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL491753 0.79 MTNR1A (0.46) HPGDCYP2D6SRC
SCHEMBL26914641 0.76 RIPK1 (0.46) LMNAHPGDSMN1; SMN2MAPK1
SCHEMBL11273044 0.75 HPGD (0.41) LMNAHPGDMAPTSMN1; SMN2NPSR1
SCHEMBL6472938 0.75 CYP2C19 (0.51) LMNAMAPTSMN1; SMN2NPSR1CYP2D6
SCHEMBL10897198 0.75 RIPK1 (0.46) HPGDALOX5ALDH1A1
SCHEMBL4624319 0.73 HRH1 (0.47)
SCHEMBL2784537 0.72 GABBR2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL11902127 0.71 RIPK1 (0.44) LMNAHPGDSMN1; SMN2MAPK1
SCHEMBL2843955 0.70 SLC6A4 (0.50) CACNA1C
SCHEMBL8300736 0.70 HTR2A (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CACNA2D1

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-7160634-B2 Vinyl polymer and organic electroluminescent device Shirota, Yasuhiko (JP) 2007-01-09 US disclosed
US-20060049750-A1 Vinyl polymer and organic electroluminescent device SHIROTA YASUHIKO 2006-03-09 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-20060049750-A1 Vinyl polymer and organic electroluminescent device HVCN1, VCL, ELAVL1 CHRNB2 2434/4885CHRNB4 2643/4885CHRNA3 2045/4885

“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.