SCHEMBL2850865

SCHEMBL2850865

CCOC1CN(c2cccc(C(=O)O)c2)CCC1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMO O15229 1/20 0.45
NOTUM Q6P988 6/20 0.44
DPP4 P27487 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARA Q07869 3/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
KCNH2 Q12809 1/20 0.41
TTR P02766 1/20 0.40

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
SCHEMBL2850870 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL2850955 0.89 GRM2 (0.45) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL2850956 0.89 GRM2 (0.45) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL2854886 0.87 KMT2A (0.51) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL2854884 0.87 KMT2A (0.51) ALDH1A1HPGDKDM4EMEN1GAA
SCHEMBL2852871 0.86 GPR119 (0.41) NOTUMMTNR1AMTNR1B
SCHEMBL2852870 0.86 GPR119 (0.41) NOTUMMTNR1AMTNR1B
SCHEMBL2852202 0.81 GRM2 (0.48) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL2852204 0.81 GRM2 (0.48) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL2850786 0.77 CPB1 (0.41) ALDH1A1HPGDKDM4EMEN1GAA

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 ALDH1A1 3596/4885HPGD 1751/4885KDM4E 206/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885HPGD 578/4885KDM4E 211/4885

“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.