SCHEMBL1794643

SCHEMBL1794643

O=C(c1ncc[nH]1)N(Cc1ccc(CNCCCCN2CCCCC2)cc1)Cc1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.56
KMT2A Q03164 1/20 0.37
SCN5A Q14524 1/20 0.36
SIGMAR1 Q99720 5/20 0.36
CHRNA7 P36544 1/20 0.35
CTSD P07339 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL1797375 0.91 CXCR4 (0.54) CXCR4KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL1795864 0.86 CXCR4 (0.51) CXCR4KMT2AHDAC1CYP2D6CYP2C19
SCHEMBL1798332 0.81 CXCR4 (0.84) CXCR4CTSD
SCHEMBL1802371 0.81 CXCR4 (0.64) CXCR4CTSDCYP2D6
SCHEMBL1793506 0.79 CXCR4 (0.48) CXCR4KMT2ACYP2D6
SCHEMBL1795606 0.78 CXCR4 (0.49) CXCR4CYP2D6
SCHEMBL2697476 0.77 CXCR4 (0.41) CXCR4SIGMAR1CTSDHDAC1HRH3
SCHEMBL2697478 0.77 CXCR4 (0.41) CXCR4SIGMAR1CTSDHDAC1HRH3
SCHEMBL2694258 0.77 CXCR4 (0.41) CXCR4SIGMAR1CTSDHDAC1HRH3
SCHEMBL2694254 0.77 CXCR4 (0.41) CXCR4SIGMAR1CTSDHDAC1HRH3

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 1/4885KMT2A 3576/4885SCN5A 1958/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 CXCR4 1/4885KMT2A 3544/4885SCN5A 1863/4885

“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.