SCHEMBL1637868

SCHEMBL1637868

CCCN(CCC)CCCCN(Cc1ccc(CN(Cc2ncc[nH]2)C(C)c2ncc[nH]2)cc1)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.52
FOLH1 Q04609 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
CTSD P07339 1/20 0.32

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
SCHEMBL1638539 0.89 CXCR4 (0.49) CXCR4HDAC1HDAC6TAAR1CTSD
SCHEMBL1637308 0.88 CXCR4 (0.47) CXCR4HDAC1HDAC6CTSD
SCHEMBL1637975 0.88 CXCR4 (0.51) CXCR4TAAR1
SCHEMBL1206794 0.87 CXCR4 (0.54) CXCR4HDAC6CTSD
SCHEMBL1637426 0.86 CXCR4 (0.49) CXCR4TAAR1
SCHEMBL1292672 0.86 CXCR4 (0.49) CXCR4TAAR1
SCHEMBL1637214 0.86 CXCR4 (0.48) CXCR4TAAR1CTSD
SCHEMBL1638357 0.86 CXCR4 (0.49) CXCR4TAAR1
SCHEMBL1205303 0.85 CXCR4 (0.47) CXCR4TAAR1
SCHEMBL1206163 0.85 CXCR4 (0.58) CXCR4TAAR1

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 8 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 claimed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US claimed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP claimed
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
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 86/4885FOLH1 3590/4885HDAC1 582/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885FOLH1 4093/4885HDAC1 366/4885

“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.