SCHEMBL381070

SCHEMBL381070

CN(CCCN(CCc1ccccc1)C(=O)O)C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.40
SCD O00767 1/20 0.39
NAMPT P43490 3/20 0.38
CTSK P43235 2/20 0.38
NPY5R Q15761 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
DRD2 P14416 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
AKT1 P31749 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL15061243 0.86 NAMPT (0.40) GLSSCDNAMPTCKS1BSKP1
SCHEMBL381069 0.84 F13A1 (0.41) GLSSCDNAMPTHDAC1
SCHEMBL381658 0.83 PAX8 (0.38) GLS
SCHEMBL381068 0.80 ATM (0.41) GLSSCDCTSKCTSLCTSB
SCHEMBL15061244 0.79 HDAC3 (0.41) NAMPTCKS1BSKP1SKP2HDAC3
SCHEMBL381398 0.78 CNR1 (0.41)
SCHEMBL20934803 0.74 NAMPT (0.47) NAMPTHDAC3HDAC8
SCHEMBL5153340 0.70 NAMPT (0.50) NAMPT
SCHEMBL29929054 0.70 P4HTM (0.54) NAMPT
SCHEMBL1734048 0.70 P4HTM (0.54) NAMPT

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-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 GLS 2376/4885SCD 3646/4885NAMPT 1400/4885

“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.