SCHEMBL2850902

SCHEMBL2850902

CCCO[C@H]1CN(c2cccc(C(=O)OC)c2)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.38
GRM2 Q14416 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CNR1 P21554 1/20 0.35
PTGES O14684 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
VCP P55072 1/20 0.34
ABCC2 Q92887 1/20 0.34

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
SCHEMBL2850897 1.00 TOP2A (0.38) TOP2AGRM2MTNR1AMTNR1BCNR1
SCHEMBL2848267 0.95 TOP2A (0.39) TOP2AGRM2MTNR1AMTNR1BCNR1
SCHEMBL2848270 0.95 TOP2A (0.39) TOP2AGRM2MTNR1AMTNR1BCNR1
SCHEMBL2850011 0.93 PPARA (0.40) TOP2A
SCHEMBL2850008 0.93 PPARA (0.40) TOP2A
SCHEMBL2852016 0.93 TOP2A (0.40) TOP2AABCC2
SCHEMBL2852022 0.93 TOP2A (0.40) TOP2AABCC2
SCHEMBL2854958 0.88 PPARA (0.40) TOP2A
SCHEMBL2854956 0.88 PPARA (0.40) TOP2A
SCHEMBL2847952 0.87 ABCC2 (0.41) ABCC2

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 TOP2A 3/4885GRM2 4787/4885MTNR1A 4528/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A TOP2A 3/4885GRM2 4783/4885MTNR1A 3994/4885

“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.