SCHEMBL1797248

SCHEMBL1797248

O=C(c1ccc(CN[C@H]2CC[C@H](N3CCOCC3)CC2)cc1)N(Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.47
NAMPT P43490 4/20 0.42
CD38 P28907 1/20 0.40
CTSD P07339 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
IRAK4 Q9NWZ3 5/20 0.37
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 1/20 0.35
ACVR1 Q04771 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
SCHEMBL1794986 1.00 CXCR4 (0.47) CXCR4NAMPTCD38CTSDHRH3
SCHEMBL1794988 1.00 CXCR4 (0.47) CXCR4NAMPTCD38CTSDHRH3
SCHEMBL2694824 0.93 CXCR4 (0.49) CXCR4NAMPTCTSDHRH3
SCHEMBL2694821 0.93 CXCR4 (0.49) CXCR4NAMPTCTSDHRH3
SCHEMBL1794701 0.92 CXCR4 (0.49) CXCR4NAMPTCTSDHRH3L3MBTL3
SCHEMBL2694832 0.91 CXCR4 (0.49) CXCR4NAMPTCTSDHRH3L3MBTL3
SCHEMBL1793856 0.91 CXCR4 (0.49) CXCR4NAMPTCTSDHRH3L3MBTL3
SCHEMBL1795085 0.91 CXCR4 (0.49) CXCR4NAMPTCTSDHRH3L3MBTL3
SCHEMBL1794518 0.91 CXCR4 (0.49) CXCR4NAMPTCTSDHRH3L3MBTL3
SCHEMBL1793602 0.89 CXCR4 (0.49) CXCR4NAMPTCTSDHRH3

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 1/4885NAMPT 349/4885CD38 314/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 CXCR4 1/4885NAMPT 365/4885CD38 291/4885

“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.