SCHEMBL2854469

SCHEMBL2854469

COC(=O)c1cc(N2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H](OC)C2)ccc1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CPB1 P15086 1/20 0.41
OPRK1 P41145 3/20 0.40
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F10 P00742 1/20 0.38
TACR1 P25103 2/20 0.38
LRRK2 Q5S007 1/20 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
SCHEMBL2854466 1.00 HTR6 (0.45) HTR6CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2844131 0.89 CPB1 (0.43) HTR6CPB1OPRK1CTSKCTSL
SCHEMBL2844135 0.89 CPB1 (0.43) HTR6CPB1OPRK1CTSKCTSL
SCHEMBL2849752 0.88 SMPD3 (0.42) HTR6CPB1OPRK1CTSKCTSL
SCHEMBL2849751 0.88 SMPD3 (0.42) HTR6CPB1OPRK1CTSKCTSL
SCHEMBL2845495 0.88 CPB1 (0.42) HTR6CPB1OPRK1CTSKCTSL
SCHEMBL2845498 0.88 CPB1 (0.42) HTR6CPB1OPRK1CTSKCTSL
SCHEMBL2852468 0.88 CPB1 (0.44) HTR6CPB1OPRK1CTSKCTSL
SCHEMBL2852466 0.88 CPB1 (0.44) HTR6CPB1OPRK1CTSKCTSL
SCHEMBL2847052 0.85 SIRT6 (0.49) HTR6CPB1OPRK1CTSKCTSL

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
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP 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 (1 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 HTR6 2184/4885CHRNB2 4761/4885CHRNB4 4489/4885

“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.