SCHEMBL2844266

SCHEMBL2844266

CC(F)(F)CO[C@H]1CN(C(=O)O)CC[C@H]1N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.42
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HSD11B1 P28845 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CCR5 P51681 5/20 0.38
CYP2C19 P33261 1/20 0.37
HTT P42858 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
SCHEMBL2844268 1.00 HTR2A (0.42) HTR2ASIGMAR1CHRM2CHRM5CHRM1
SCHEMBL2844701 0.91 JAK2 (0.48) HTR2AHSD11B1HTT
SCHEMBL2844705 0.91 JAK2 (0.48) HTR2AHSD11B1HTT
SCHEMBL16390979 0.86 CHRM5 (0.41) HTR2ASIGMAR1CHRM2CHRM5CHRM1
SCHEMBL15251347 0.86 CHRM5 (0.41) HTR2ASIGMAR1CHRM2CHRM5CHRM1
SCHEMBL2851367 0.85 CHRM5 (0.44) HTR2ASIGMAR1CHRM2CHRM5CHRM1
SCHEMBL2851369 0.85 CHRM5 (0.44) HTR2ASIGMAR1CHRM2CHRM5CHRM1
SCHEMBL2845923 0.84 HTR2A (0.40) HTR2ASIGMAR1CHRM2CHRM5CHRM1
SCHEMBL15251348 0.84 HTR2A (0.45) HTR2ASIGMAR1CHRM2CHRM5CHRM1
SCHEMBL2845920 0.84 HTR2A (0.40) HTR2ASIGMAR1CHRM2CHRM5CHRM1

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 HTR2A 2856/4885SIGMAR1 2425/4885CHRM2 4631/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HTR2A 3605/4885SIGMAR1 2173/4885CHRM2 4541/4885

“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.