SCHEMBL2845495

SCHEMBL2845495

COC(=O)c1cc(N2CCC(NC(=O)OCc3ccccc3)C(OC)C2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.42
OPRK1 P41145 3/20 0.41
TACR1 P25103 2/20 0.40
HTR6 P50406 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LRRK2 Q5S007 1/20 0.38
DPP4 P27487 2/20 0.37
KCNH2 Q12809 2/20 0.37
DPP7 Q9UHL4 2/20 0.37

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
SCHEMBL2845498 1.00 CPB1 (0.42) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2844131 0.90 CPB1 (0.43) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2844135 0.90 CPB1 (0.43) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2852468 0.90 CPB1 (0.44) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2849752 0.90 SMPD3 (0.42) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2849751 0.90 SMPD3 (0.42) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2852466 0.90 CPB1 (0.44) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2854466 0.88 HTR6 (0.45) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2854469 0.88 HTR6 (0.45) CPB1OPRK1TACR1HTR6CTSL
SCHEMBL2847052 0.86 SIRT6 (0.49) CPB1OPRK1TACR1HTR6CTSL

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 CPB1 1454/4885OPRK1 3394/4885TACR1 4830/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CPB1 474/4885OPRK1 3443/4885TACR1 4370/4885

“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.