SCHEMBL5409890

SCHEMBL5409890

Cc1ccccc1CCN(CCC(=O)O)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.46
HPGD P15428 6/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 1/20 0.42
KCNA5 P22460 1/20 0.41

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
SCHEMBL5401143 0.95 ALDH1A1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL5394637 0.94 HPGD (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL4925864 0.93 ALDH1A1 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL5397969 0.93 KMT2A (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL5399641 0.92 HPGD (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL5401671 0.92 HPGD (0.52) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL5402812 0.92 NR1H4 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL5405937 0.92 ALDH1A1 (0.48) ALDH1A1HPGDHDAC1HDAC6RAB9A
SCHEMBL5406034 0.91 SMN1; SMN2 (0.50) ALDH1A1HTTHPGDLMNASMN1; SMN2
SCHEMBL5398810 0.91 MEN1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB CHRNB2 857/4885CHRNB4 989/4885CHRNA3 1766/4885

“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.