SCHEMBL1793602

SCHEMBL1793602

CN1CCN(C2CCC(NCc3ccc(C(=O)N(Cc4ncc[nH]4)Cc4ncc[nH]4)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.49
CTSD P07339 1/20 0.40
NAMPT P43490 1/20 0.39
SLC2A1 P11166 1/20 0.38
OPRD1 P41143 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
MAPK10 P53779 1/20 0.35
HTR2A P28223 2/20 0.34
FASN P49327 1/20 0.34
SLC6A5 Q9Y345 1/20 0.33
HTR2B P41595 1/20 0.33
HDAC1 Q13547 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
SCHEMBL1794701 0.92 CXCR4 (0.49) CXCR4CTSDNAMPTOPRD1OPRM1
SCHEMBL1795085 0.91 CXCR4 (0.49) CXCR4CTSDNAMPTOPRD1OPRM1
SCHEMBL2694824 0.91 CXCR4 (0.49) CXCR4CTSDNAMPTOPRD1OPRM1
SCHEMBL2694821 0.91 CXCR4 (0.49) CXCR4CTSDNAMPTOPRD1OPRM1
SCHEMBL1794518 0.91 CXCR4 (0.49) CXCR4CTSDNAMPTOPRD1OPRM1
SCHEMBL2694832 0.91 CXCR4 (0.49) CXCR4CTSDNAMPTOPRD1OPRM1
SCHEMBL1793856 0.91 CXCR4 (0.49) CXCR4CTSDNAMPTOPRD1OPRM1
SCHEMBL1794988 0.89 CXCR4 (0.47) CXCR4CTSDNAMPTHRH3
SCHEMBL1797248 0.89 CXCR4 (0.47) CXCR4CTSDNAMPTHRH3
SCHEMBL1794986 0.89 CXCR4 (0.47) CXCR4CTSDNAMPTHRH3

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 1/4885CTSD 3749/4885NAMPT 349/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 CXCR4 1/4885CTSD 3690/4885NAMPT 365/4885

“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.