SCHEMBL1796012

SCHEMBL1796012

CCCN1CCCN(Cc2ccc(C(=O)N(Cc3ncc[nH]3)Cc3ncc[nH]3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.61
OPRD1 P41143 6/20 0.45
CTSD P07339 1/20 0.44
OPRM1 P35372 4/20 0.42
OPRK1 P41145 1/20 0.42
MCHR1 Q99705 1/20 0.41
ALOX15 P16050 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KCNH2 Q12809 1/20 0.39
CHKA P35790 2/20 0.39

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
SCHEMBL1792696 0.90 CXCR4 (0.73) CXCR4OPRD1CTSDOPRM1OPRK1
SCHEMBL1796770 0.88 CXCR4 (0.66) CXCR4OPRD1CTSDMCHR1ALOX15
SCHEMBL1793461 0.87 CXCR4 (0.71) CXCR4OPRD1
SCHEMBL1793784 0.87 CXCR4 (0.74) CXCR4OPRD1CTSD
SCHEMBL1793605 0.87 CXCR4 (0.79) CXCR4OPRD1CTSDOPRM1OPRK1
SCHEMBL1795938 0.87 CXCR4 (0.76) CXCR4OPRD1CTSDOPRM1OPRK1
SCHEMBL1795590 0.82 CXCR4 (0.60) CXCR4OPRD1CTSDOPRM1OPRK1
SCHEMBL1795251 0.82 CXCR4 (0.59) CXCR4CTSD
SCHEMBL2694615 0.81 CXCR4 (0.54) CXCR4OPRD1CTSDOPRM1OPRK1
SCHEMBL1794172 0.80 CXCR4 (0.66) CXCR4OPRD1CTSDOPRM1OPRK1

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 1/4885OPRD1 920/4885CTSD 3749/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 CXCR4 1/4885OPRD1 976/4885CTSD 3690/4885

“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.