SCHEMBL5406064

SCHEMBL5406064

COc1ccccc1CCN(CCC(=O)O)C(=O)c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 2/20 0.46
GAA P10253 2/20 0.46
KCNA5 P22460 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC6A5 Q9Y345 1/20 0.44
THRA P10827 1/20 0.44

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
SCHEMBL5392507 0.93 TAAR1 (0.48) TAAR1L3MBTL1CDK4CCND1HPGD
SCHEMBL5394246 0.91 KMT2A (0.47) TAAR1L3MBTL1NPC1RAB9AMAPT
SCHEMBL5393037 0.90 TAAR1 (0.46) TAAR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5405983 0.89 HPGD (0.55) TAAR1HPGDNPC1RAB9AMAPT
SCHEMBL5397621 0.89 HPGD (0.57) HPGDNPC1RAB9AGAAALDH1A1
SCHEMBL5406034 0.87 SMN1; SMN2 (0.50) HPGDNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5395599 0.87 PLAAT3 (0.56) L3MBTL1HPGDNPC1RAB9AMAPT
SCHEMBL5399241 0.87 NPC1 (0.51) L3MBTL1HPGDNPC1RAB9AMAPT
SCHEMBL5402706 0.86 MAPT (0.46) L3MBTL1CDK4CCND1HPGDMAPT
SCHEMBL5398957 0.86 HPGD (0.56) TAAR1HPGDNPC1RAB9ALMNA

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 TAAR1 2070/4885L3MBTL1 1016/4885CDK4 4078/4885

“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.