SCHEMBL2086005

SCHEMBL2086005

Cc1cccnc1CC(N)(Cc1ncccc1C)C1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.40
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
RPLP1 P05386 2/20 0.35
RPLP0 P05388 2/20 0.35
RPS17 P08708 2/20 0.35
RPSA P08865 2/20 0.35
RPS2 P15880 2/20 0.35
RPL35A P18077 2/20 0.35
RPL7 P18124 2/20 0.35
RPL17 P18621 2/20 0.35
RPS4Y1 P22090 2/20 0.35
RPS3 P23396 2/20 0.35
RPS12 P25398 2/20 0.35
RPL13 P26373 2/20 0.35
RPL10 P27635 2/20 0.35
RPL12 P30050 2/20 0.35
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 2/20 0.35
RPL22 P35268 2/20 0.35
RPL4 P36578 2/20 0.35

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
SCHEMBL2080657 0.84 SLC6A4 (0.40) SSTR4SLC6A2SLC6A4SLC6A3CHRM2
SCHEMBL2086006 0.70 CXCR4 (0.42) SSTR4RPLP1RPLP0RPS17RPSA
SCHEMBL7140521 0.70 NOS3 (0.47) SSTR4CXCR4
SCHEMBL19214826 0.68 NOS3 (0.45) SSTR4CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL2083712 0.66 NOS3 (0.40) SSTR4CHRM2CHRM1CHRM3CXCR4
SCHEMBL10153575 0.66 CHRNB2 (0.56) CHRNB2CHRNA4
SCHEMBL20031862 0.66 NOS3 (0.42) SSTR4CXCR4
SCHEMBL17849499 0.66 SSTR4 (0.47) SSTR4CXCR4
SCHEMBL23889117 0.65 OPRL1 (0.45) SSTR4CXCR4
SCHEMBL19214821 0.65 NOS3 (0.41) SSTR4CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 SSTR4 4293/4885CHRNB2 1753/4885CHRNA4 1557/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SSTR4 3287/4885CHRNB2 1799/4885CHRNA4 1167/4885

“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.