SCHEMBL5544831

SCHEMBL5544831

CSC[C@H](CO)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CNR1 P21554 1/20 0.34
ADRA1A P35348 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCC3 O15438 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
TGFBR1 P36897 2/20 0.31
PNP P00491 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL3587107 1.00 LMNA (0.34) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL14842225 1.00 LMNA (0.34) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL5549045 0.81 RNPEP (0.44) LMNARNPEP
SCHEMBL14842156 0.81 RNPEP (0.44) LMNARNPEP
SCHEMBL5548076 0.80 DNM1 (0.35)
SCHEMBL14842170 0.80 DNM1 (0.35)
SCHEMBL2840047 0.80
SCHEMBL5544827 0.77 GABRR1 (0.39) RNPEP
SCHEMBL5544819 0.77 GABRR1 (0.39) RNPEP
SCHEMBL5112339 0.76

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S LMNA 1968/4885CNR1 80/4885ADRA1A 3892/4885

“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.