SCHEMBL379856

SCHEMBL379856

COC(=O)[C@H]1CC[C@@H](NC(=O)OCCCl)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL2945480 1.00 EPHX1 (0.43) EPHX1GAAALDH1A1POLBTSHR
SCHEMBL379857 1.00 EPHX1 (0.43) EPHX1GAAALDH1A1POLBTSHR
SCHEMBL2941952 0.75 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2941951 0.75 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL17872626 0.74 SMYD3 (0.40) EPHX1GAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL17872624 0.74 SMYD3 (0.40) EPHX1GAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL5792200 0.73
SCHEMBL26106230 0.73 POLB (0.46) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL26106226 0.73 POLB (0.46) GAAALDH1A1POLBSMN1; SMN2TP53
SCHEMBL9885094 0.73 ALDH1A1 (0.78) EPHX1GAAALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
EP-2408767-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. Lundbeck A/S (DK) 2012-01-25 EP disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO 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-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS NPY5R, NPY1R, NPY2R EPHX1 3200/4885GAA 527/4885ALDH1A1 4710/4885

“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.