SCHEMBL5406368

SCHEMBL5406368

Cc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
ALDH1A1 P00352 2/20 0.49
F12 P00748 1/20 0.44
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MCL1 Q07820 1/20 0.40
BAD Q92934 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTPN1 P18031 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMB8 P28062 2/20 0.39
PSMB5 P28074 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL5394163 0.93 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1HPGDFFAR1
SCHEMBL5402292 0.90 PTPN1 (0.52) CHRNB2CHRNA4ALDH1A1HPGDMCL1
SCHEMBL5402458 0.90 ALDH1A1 (0.55) CHRNB2CHRNA4ALDH1A1PPARGKDM4E
SCHEMBL5409109 0.89 CHRNB2 (0.54) CHRNB2CHRNA4ALDH1A1HPGDSMN1; SMN2
SCHEMBL5403714 0.89 CHRNB2 (0.56) CHRNB2CHRNA4ALDH1A1F12PPARG
SCHEMBL5397438 0.89 CHRNB2 (0.50) CHRNB2CHRNA4FFAR1AKR1B1PTPN1
SCHEMBL5392409 0.89 ALDH1A1 (0.50) ALDH1A1PPARGKDM4EHPGDSMN1; SMN2
SCHEMBL5406923 0.89 CHRNB2 (0.58) CHRNB2CHRNA4ALDH1A1PPARGHPGD
SCHEMBL5418399 0.89 ALDH1A1 (0.57) CHRNB2CHRNA4ALDH1A1PPARGKDM4E
SCHEMBL5399793 0.89 ALDH1A1 (0.57) CHRNB2CHRNA4ALDH1A1PPARGKDM4E

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 857/4885CHRNA4 1750/4885ALDH1A1 1256/4885

“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.