SCHEMBL5397151

SCHEMBL5397151

COc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.44
ALOX5 P09917 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
DRD1 P21728 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL5395656 0.92 FFAR1 (0.39) FFAR1FFAR4BLMPMP22SMN1; SMN2
SCHEMBL5401102 0.92 FFAR1 (0.47) FFAR1FFAR4BLMSMN1; SMN2TRPM8
SCHEMBL5392820 0.92 BLM (0.50) FFAR1FFAR4BLMPMP22SMN1; SMN2
SCHEMBL5403476 0.91 FFAR1 (0.41) FFAR1FFAR4ALDH1A1MEN1KMT2A
SCHEMBL5407016 0.90 RAB9A (0.43) FFAR1ALDH1A1MEN1KMT2ALPAR1
SCHEMBL5414051 0.90 KMT2A (0.46) FFAR1FFAR4SMN1; SMN2MEN1KMT2A
SCHEMBL5399576 0.89 FFAR1 (0.40) FFAR1FFAR4ALDH1A1MEN1KMT2A
SCHEMBL5406332 0.88 RAF1 (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5397700 0.87 MAPK8 (0.43) FFAR1ALDH1A1MEN1KMT2ATDP1
SCHEMBL5409818 0.86 FFAR1 (0.45) FFAR1FFAR4SMN1; SMN2ALDH1A1MEN1

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 FFAR1 65/4885FFAR4 187/4885BLM 686/4885

“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.