SCHEMBL8305944

SCHEMBL8305944

Cc1cnc([C@H]2CCC[C@@H](c3ncc(C)cc3C)N2Cc2ccc(C(N)=O)cc2CO)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 10/20 0.34
OPRM1 P35372 10/20 0.34
KCNH2 Q12809 2/20 0.34
OPRD1 P41143 8/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
CFB P00751 2/20 0.33
ABL1 P00519 1/20 0.32
BRD4 O60885 1/20 0.32
RIPK2 O43353 1/20 0.31
KMT2A Q03164 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
SCHEMBL2478770 0.91 KDM4A (0.34) OPRK1CFB
SCHEMBL2476738 0.88 SMN1; SMN2 (0.36) OPRK1HSP90AA1HSP90AB1
SCHEMBL2473409 0.86 OPRK1 (0.38) OPRK1OPRM1KCNH2OPRD1CFB
SCHEMBL2473301 0.84 AXL (0.33) CFBABL1
SCHEMBL2475607 0.84 KLKB1 (0.31)
SCHEMBL2470023 0.84 KLKB1 (0.31)
SCHEMBL2470276 0.81 AR (0.37)
SCHEMBL2476471 0.81 AR (0.37)
SCHEMBL2472923 0.80 OPRK1 (0.35) OPRK1OPRM1KCNH2OPRD1HSP90AA1
SCHEMBL8300504 0.78 OPRK1 (0.39) OPRK1OPRM1KCNH2OPRD1KMT2A

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-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 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-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 OPRK1 106/4885OPRM1 216/4885KCNH2 4218/4885

“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.