SCHEMBL379716

SCHEMBL379716

CCOC(=O)C1CCC(NCCCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAN2B1 O00754 1/20 0.38
MAPT P10636 2/20 0.35
CPB2 Q96IY4 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35

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
SCHEMBL851615 0.87 TDP1 (0.56) MEN1KMT2ATDP1EPHX1GAA
SCHEMBL15778213 0.83 TDP1 (0.42) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL15796451 0.82 TDP1 (0.44) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL13627401 0.81 EPHX1 (0.62) MEN1KMT2AALDH1A1TDP1EPHX1
SCHEMBL2951842 0.80 EPHX1 (0.51) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL2951839 0.80 EPHX1 (0.51) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL572952 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1TSHREPHX1
SCHEMBL1498337 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1TSHREPHX1
SCHEMBL12692961 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1TSHREPHX1
SCHEMBL24435259 0.78 EPHX1 (0.58) MEN1KMT2AALDH1A1TDP1EPHX1

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 6 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
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 MEN1 4129/4885KMT2A 1750/4885ALDH1A1 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.