SCHEMBL2853756

SCHEMBL2853756

COC(=O)c1cc(F)cc(N2CCC(NC(=O)OCc3ccccc3)C(OC)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.42
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
TACR1 P25103 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
DPP4 P27487 2/20 0.37
KCNH2 Q12809 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
OPRK1 P41145 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2853757 1.00 CPB1 (0.42) CPB1CTSKCTSLCTSBTACR1
SCHEMBL2851933 0.90 CA1 (0.44) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2851928 0.90 CA1 (0.44) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2849059 0.88 CPB1 (0.44) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2849061 0.88 CPB1 (0.44) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2845498 0.84 CPB1 (0.42) CPB1CTSKCTSLCTSBTACR1
SCHEMBL2845495 0.84 CPB1 (0.42) CPB1CTSKCTSLCTSBTACR1
SCHEMBL2846090 0.84 RBP4 (0.42) CPB1CTSKCTSLCTSBTACR1
SCHEMBL2846091 0.84 RBP4 (0.42) CPB1CTSKCTSLCTSBTACR1
SCHEMBL2848479 0.84 CPB1 (0.45) CPB1CTSKCTSLCTSBTACR1

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-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CPB1 1454/4885CTSK 1636/4885CTSL 1737/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CPB1 474/4885CTSK 2142/4885CTSL 1294/4885

“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.