SCHEMBL381658

SCHEMBL381658

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.38
CNR1 P21554 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MLYCD O95822 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
GLS O94925 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL15061419 0.87 PAX8 (0.36) PAX8CNR1TDP1L3MBTL1
SCHEMBL381657 0.86 L3MBTL1 (0.39) PAX8LTB4RLTB4R2GLSL3MBTL1
SCHEMBL381070 0.83 GLS (0.40) GLS
SCHEMBL381398 0.80 CNR1 (0.41) CNR1NPC1RAB9ATDP1MLYCD
SCHEMBL381656 0.79 HCRTR1 (0.38) PAX8TDP1GLS
SCHEMBL15061421 0.79 CA14 (0.34) PAX8CNR1
SCHEMBL7790318 0.73 PAX8 (0.43) PAX8TDP1L3MBTL1
SCHEMBL9556328 0.71 MAPK1 (0.49) PAX8L3MBTL1
SCHEMBL5108885 0.70 MEN1 (0.50) NPC1RAB9ATDP1LTB4RLTB4R2
SCHEMBL24015174 0.69 SIGMAR1 (0.51)

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 PAX8 2909/4885CNR1 143/4885NPC1 1488/4885

“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.