SCHEMBL3511641

SCHEMBL3511641

O=C(O)N1CC[C@](O)(c2cccc(Br)n2)[C@@H](O)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.33
OPRD1 P41143 6/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.31

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
SCHEMBL16371753 1.00 OPRK1 (0.33) OPRK1OPRD1ALDH1A1MAPTKMT2A
SCHEMBL16423310 0.85 OPRK1 (0.34) OPRK1OPRD1ALDH1A1MAPTKMT2A
SCHEMBL16423050 0.84 SLC6A9 (0.38) OPRK1OPRD1ALDH1A1MAPTKMT2A
SCHEMBL16422676 0.84 SLC6A9 (0.38) OPRK1OPRD1ALDH1A1MAPTKMT2A
SCHEMBL16385996 0.83 ALK (0.42)
SCHEMBL13116882 0.83 SMN1; SMN2 (0.43) OPRK1OPRD1ALDH1A1KMT2A
SCHEMBL444439 0.79 ALDH1A1 (0.36) OPRK1OPRD1ALDH1A1KMT2AFAAH
SCHEMBL16423147 0.76 PKLR (0.39) OPRK1OPRD1ALDH1A1MAPTKMT2A
SCHEMBL2242094 0.76 OPRK1 (0.49) OPRK1OPRD1ALDH1A1MAPTKMT2A
SCHEMBL2246366 0.76 OPRK1 (0.49) OPRK1OPRD1ALDH1A1MAPTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 OPRK1 2993/4885OPRD1 4142/4885ALDH1A1 3244/4885

“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.