SCHEMBL2850422

SCHEMBL2850422

CC[C@@H]1[C@H](OS(C)(=O)=O)CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.36
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A9 P48067 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2849250 1.00 OPRD1 (0.36) OPRD1CYP2D6CYP3A4ALOX15SLC6A2
SCHEMBL2849251 1.00 OPRD1 (0.36) OPRD1CYP2D6CYP3A4ALOX15SLC6A2
SCHEMBL30642715 0.82 OPRD1 (0.38) OPRD1CYP2D6CYP3A4ALOX15SLC6A2
SCHEMBL5450723 0.82 OPRD1 (0.38) OPRD1CYP2D6CYP3A4ALOX15SLC6A2
SCHEMBL5458868 0.82 OPRD1 (0.38) OPRD1CYP2D6CYP3A4ALOX15SLC6A2
SCHEMBL5458873 0.82 OPRD1 (0.38) OPRD1CYP2D6CYP3A4ALOX15SLC6A2
SCHEMBL24826487 0.81 CYP2D6 (0.36) OPRD1CYP2D6CYP3A4ALOX15SLC6A2
SCHEMBL5744342 0.77 CYP2D6 (0.39) OPRD1CYP2D6CYP3A4ALOX15SLC6A2
SCHEMBL2589042 0.76 CHRM2 (0.41) OPRD1CYP3A4SLC6A9NPSR1NOD2
SCHEMBL70441 0.74 CYP2D6 (0.46) CYP2D6CYP3A4ALOX15SLC6A2SLC6A9

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 OPRD1 4505/4885CYP2D6 1504/4885CYP3A4 345/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A OPRD1 4549/4885CYP2D6 232/4885CYP3A4 53/4885

“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.