SCHEMBL2852728

SCHEMBL2852728

C=CCO[C@H]1CN(C(=O)O)CC[C@H]1NCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TEAD1 P28347 3/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 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
SCHEMBL2852733 1.00 DRD4 (0.39) DRD4NPSR1MEN1KMT2ATEAD1
SCHEMBL2843189 0.87 GPR119 (0.46) ACHE
SCHEMBL2843190 0.87 GPR119 (0.46) ACHE
SCHEMBL2848250 0.86 SMN1; SMN2 (0.42) DRD4NPSR1MEN1KMT2ABCHE
SCHEMBL2848253 0.86 SMN1; SMN2 (0.42) DRD4NPSR1MEN1KMT2ABCHE
SCHEMBL509084 0.85 MEN1 (0.43) DRD4NPSR1MEN1KMT2AHSD17B10
SCHEMBL2857742 0.85 MEN1 (0.43) DRD4NPSR1MEN1KMT2AHSD17B10
SCHEMBL15121687 0.84 MEN1 (0.43) DRD4NPSR1MEN1KMT2ABCHE
SCHEMBL2850842 0.83 DRD4 (0.38) DRD4NPSR1MEN1KMT2AALDH1A1
SCHEMBL2850838 0.83 DRD4 (0.38) DRD4NPSR1MEN1KMT2AALDH1A1

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 DRD4 2096/4885NPSR1 4875/4885MEN1 3960/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A DRD4 2671/4885NPSR1 4836/4885MEN1 3629/4885

“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.