SCHEMBL5404039

SCHEMBL5404039

O=C(O)CCN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KCNA5 P22460 5/20 0.47
KCNA3 P22001 2/20 0.47
KCNK3 O14649 1/20 0.47
KDM4E B2RXH2 3/20 0.47
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
GLA P06280 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL5402839 0.88 LMNA (0.61) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5404003 0.87 LMNA (0.48) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5394218 0.87 KCNA5 (0.49) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5394163 0.87 CHRNB2 (0.59) CHRNB2CHRNA4LMNAKCNA5CYP2C9
SCHEMBL5409109 0.86 CHRNB2 (0.54) CHRNB2CHRNA4HTTSMN1; SMN2CYP2C9
SCHEMBL5404295 0.85 HPGD (0.49) LMNAHTTKCNA5KCNA3KCNK3
SCHEMBL5403714 0.84 CHRNB2 (0.56) CHRNB2CHRNA4LMNAHTTKDM4E
SCHEMBL5397221 0.84 CHRNB2 (0.52) CHRNB2CHRNA4LMNAHTTKCNK3
SCHEMBL5406923 0.84 CHRNB2 (0.58) CHRNB2CHRNA4LMNAKCNA5F2
SCHEMBL5403388 0.84 LMNA (0.48) LMNAHTTKCNA5KCNA3KCNK3

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 1750/4885LMNA 308/4885

“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.