SCHEMBL3799407

SCHEMBL3799407

CCOC(=O)c1coc(N2CC[C@@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@@H](OCC(C)C)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC2 Q92887 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TOP2A P11388 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
ACKR3 P25106 1/20 0.31

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
SCHEMBL3799399 1.00 ABCC2 (0.33) ABCC2HCRTR1HCRTR2TOP2AIRAK4
SCHEMBL2846577 0.90 ABCC2 (0.39) ABCC2
SCHEMBL2846567 0.90 ABCC2 (0.39) ABCC2
SCHEMBL2851916 0.82 ABCC2 (0.47) ABCC2
SCHEMBL2851918 0.82 ABCC2 (0.47) ABCC2
SCHEMBL2848281 0.82 ABCC2 (0.43) ABCC2
SCHEMBL2848280 0.82 ABCC2 (0.43) ABCC2
SCHEMBL2850103 0.82 ABCC2 (0.42) ABCC2
SCHEMBL2850098 0.82 ABCC2 (0.42) ABCC2
SCHEMBL2849544 0.80 ABCC2 (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ABCC2 1441/4885HCRTR1 4879/4885HCRTR2 4882/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ABCC2 849/4885HCRTR1 4835/4885HCRTR2 4879/4885

“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.