SCHEMBL2849752

SCHEMBL2849752

COC(=O)c1cc(N2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H](OC)C2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.42
CPB1 P15086 1/20 0.42
OPRK1 P41145 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
PDE4B Q07343 2/20 0.41
HTR6 P50406 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
LRRK2 Q5S007 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
TACR1 P25103 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR4 Q13639 1/20 0.39

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
SCHEMBL2849751 1.00 SMPD3 (0.42) SMPD3CPB1OPRK1CA1CA2
SCHEMBL2844135 0.90 CPB1 (0.43) SMPD3CPB1OPRK1HTR6CTSL
SCHEMBL2844131 0.90 CPB1 (0.43) SMPD3CPB1OPRK1HTR6CTSL
SCHEMBL2845495 0.90 CPB1 (0.42) CPB1OPRK1HTR6CTSLCTSB
SCHEMBL2852466 0.90 CPB1 (0.44) CPB1OPRK1HTR6CTSLCTSB
SCHEMBL2845498 0.90 CPB1 (0.42) CPB1OPRK1HTR6CTSLCTSB
SCHEMBL2852468 0.90 CPB1 (0.44) CPB1OPRK1HTR6CTSLCTSB
SCHEMBL2854466 0.88 HTR6 (0.45) CPB1OPRK1HTR6CTSLCTSB
SCHEMBL2854469 0.88 HTR6 (0.45) CPB1OPRK1HTR6CTSLCTSB
SCHEMBL2847052 0.86 SIRT6 (0.49) CPB1OPRK1HTR6CTSLCTSB

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 SMPD3 3900/4885CPB1 1454/4885OPRK1 3394/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A SMPD3 2568/4885CPB1 474/4885OPRK1 3443/4885

“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.