SCHEMBL3508969

SCHEMBL3508969

O=C1NC2(CCN(Cc3cccc(Br)n3)CC2)CO1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
CXCR4 P61073 2/20 0.40
ACHE P22303 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
MGLL Q99685 9/20 0.34
CDK8 P49336 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
PARP1 P09874 1/20 0.33
PTPN11 Q06124 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL1972452 0.76 SIGMAR1 (0.49) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL31372331 0.70 CXCR4 (0.77) FAAHCXCR4
SCHEMBL465778 0.70 CXCR4 (0.77) FAAHCXCR4
SCHEMBL3853383 0.70 CXCR4 (0.65) FAAHCXCR4DRD2DRD3
SCHEMBL839038 0.70 FAAH (0.53) FAAHCXCR4ACHEDRD2DRD3
SCHEMBL22053045 0.69 KDM4E (0.37) MGLLCDK8CDK19
SCHEMBL840048 0.68 KMT2A (0.59) FAAHCXCR4ACHEPARP1DRD2
SCHEMBL5253618 0.68 FAAH (0.54) FAAHCXCR4ACHEDRD2DRD3
SCHEMBL29462386 0.68 FAAH (0.54) FAAHCXCR4ACHEPTPN11DRD2
SCHEMBL5255062 0.68 FAAH (0.54) FAAHCXCR4ACHEPTPN11DRD2

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 FAAH 4535/4885CXCR4 1032/4885ACHE 4882/4885

“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.