SCHEMBL1638568

SCHEMBL1638568

CCOC(=O)CCCC(NC(=O)OC(C)(C)C)N(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.50
PTPN1 P18031 2/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL1636544 0.85 CXCR4 (0.56) CXCR4
SCHEMBL1637510 0.83 CXCR4 (0.57) CXCR4
SCHEMBL1638570 0.82 CXCR4 (0.51) CXCR4
SCHEMBL1205693 0.79 CXCR4 (0.60) CXCR4PTPN1
SCHEMBL1637150 0.77 CXCR4 (0.70) CXCR4
SCHEMBL1637511 0.76 CXCR4 (0.66) CXCR4
SCHEMBL1637981 0.76 CXCR4 (0.66) CXCR4
SCHEMBL1637896 0.75 CXCR4 (0.63) CXCR4
SCHEMBL2189962 0.75 CXCR4 (0.73) CXCR4
SCHEMBL1205691 0.75 CXCR4 (0.53) CXCR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 CXCR4 86/4885PTPN1 3513/4885CTSK 4758/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885PTPN1 3740/4885CTSK 4784/4885

“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.