SCHEMBL1795626

SCHEMBL1795626

CCCN(CCC)CCCCN1CCc2cc(C(=O)N(Cc3nccn3COCC[Si](C)(C)C)Cc3nccn3COCC[Si](C)(C)C)ccc2C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 3/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CXCR4 P61073 1/20 0.33
DRD3 P35462 4/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.32
HSP90AA1 P07900 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL1795088 0.85 CXCR4 (0.41) OPRM1OPRD1OPRK1BCHEACHE
SCHEMBL1793874 0.77 CXCR4 (0.58) CXCR4DRD3DRD2DRD4
SCHEMBL1795126 0.77 ESR1 (0.42) OPRM1OPRD1OPRK1DRD3DRD2
SCHEMBL1794340 0.77 CXCR4 (0.54) OPRM1OPRD1OPRK1CXCR4DRD3
SCHEMBL1794950 0.77 SYK (0.37)
SCHEMBL1794402 0.77 TMEM97 (0.48) DRD3DRD1
SCHEMBL1794130 0.75 ABCG2 (0.39) OPRM1OPRD1OPRK1CXCR4DRD3
SCHEMBL1796181 0.74 CXCR4 (0.38) CXCR4
SCHEMBL1793575 0.74 CXCR4 (0.54) OPRM1OPRD1OPRK1CXCR4DRD3
SCHEMBL1794874 0.73 CXCR4 (0.46) OPRM1OPRD1OPRK1CXCR4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 OPRM1 664/4885OPRD1 920/4885OPRK1 415/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 OPRM1 702/4885OPRD1 976/4885OPRK1 438/4885

“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.