SCHEMBL2851597

SCHEMBL2851597

COC(=O)c1cc(N2CC[C@@H](N)[C@@H](OC)C2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NOTUM Q6P988 2/20 0.41
OPRK1 P41145 7/20 0.41
DPP4 P27487 2/20 0.41
USP30 Q70CQ3 4/20 0.41
SIRT6 Q8N6T7 1/20 0.38
ACACB O00763 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL2851594 1.00 ALDH1A1 (0.44) ALDH1A1HPGDTSHRHSD17B10NOTUM
SCHEMBL2844764 0.87 OPRK1 (0.44) ALDH1A1HPGDNOTUMOPRK1DPP4
SCHEMBL2844763 0.87 OPRK1 (0.44) ALDH1A1HPGDNOTUMOPRK1DPP4
SCHEMBL2845256 0.86 DPP4 (0.49) ALDH1A1HPGDHSD17B10OPRK1DPP4
SCHEMBL2845254 0.86 DPP4 (0.49) ALDH1A1HPGDHSD17B10OPRK1DPP4
SCHEMBL2850685 0.84 OPRK1 (0.41) ALDH1A1HPGDHSD17B10OPRK1DPP4
SCHEMBL2850688 0.84 OPRK1 (0.41) ALDH1A1HPGDHSD17B10OPRK1DPP4
SCHEMBL6499993 0.83 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHSD17B10NOTUM
SCHEMBL2854794 0.80 KDM4E (0.47) ALDH1A1HPGDHSD17B10NOTUMOPRK1
SCHEMBL2854791 0.80 KDM4E (0.47) ALDH1A1HPGDHSD17B10NOTUMOPRK1

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 ALDH1A1 3596/4885HPGD 1751/4885TSHR 4153/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885HPGD 578/4885TSHR 4736/4885

“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.