SCHEMBL2850842

SCHEMBL2850842

C=C(C)COC1CN(C(=O)O)CCC1NCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
ENPP2 Q13822 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
KDM1A O60341 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
SCHEMBL2850838 1.00 DRD4 (0.38) DRD4NPSR1MEN1KMT2ARAB9A
SCHEMBL2852120 0.88 GPR119 (0.46) GAAKDM4E
SCHEMBL2852126 0.88 GPR119 (0.46) GAAKDM4E
SCHEMBL2857742 0.86 MEN1 (0.43) DRD4NPSR1MEN1KMT2AALDH1A1
SCHEMBL509084 0.86 MEN1 (0.43) DRD4NPSR1MEN1KMT2AALDH1A1
SCHEMBL2848253 0.85 SMN1; SMN2 (0.42) DRD4NPSR1MEN1KMT2ARAB9A
SCHEMBL2848250 0.85 SMN1; SMN2 (0.42) DRD4NPSR1MEN1KMT2ARAB9A
SCHEMBL7293517 0.84 KDM4E (0.47) DRD4NPSR1MEN1KMT2ARAB9A
SCHEMBL2851175 0.84 KDM4E (0.47) DRD4NPSR1MEN1KMT2ARAB9A
SCHEMBL2851173 0.84 KDM4E (0.47) DRD4NPSR1MEN1KMT2ARAB9A

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.