SCHEMBL1795124

SCHEMBL1795124

CCCN(CCC)CCCCNCc1ccc(CN(Cc2ncc[nH]2)C(=O)c2ccc[nH]2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.80
KDM4E B2RXH2 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PKM P14618 2/20 0.34
CTSD P07339 1/20 0.34

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
SCHEMBL1793193 0.89 CXCR4 (1.00) CXCR4DRD2DRD4DRD3
SCHEMBL1798332 0.88 CXCR4 (0.84) CXCR4CTSD
SCHEMBL1792747 0.88 CXCR4 (0.98) CXCR4DRD2DRD4DRD3
SCHEMBL1795833 0.87 CXCR4 (0.78) CXCR4KDM4E
SCHEMBL1797198 0.86 CXCR4 (0.94) CXCR4
SCHEMBL1793873 0.85 CXCR4 (0.78) CXCR4CTSD
SCHEMBL1794866 0.84 CXCR4 (0.77) CXCR4CTSD
SCHEMBL1795795 0.84 CXCR4 (0.77) CXCR4CTSD
SCHEMBL1794207 0.83 CXCR4 (0.82) CXCR4CTSD
SCHEMBL1792909 0.83 CXCR4 (0.76) CXCR4KDM4ECTSD

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-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
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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 CXCR4 1/4885KDM4E 4387/4885DRD2 1937/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 CXCR4 1/4885KDM4E 4354/4885DRD2 1809/4885

“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.