SCHEMBL5767904

SCHEMBL5767904

CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2nccn2C)Cc2nccn2S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.62
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.39
KCNA5 P22460 2/20 0.38
HTR6 P50406 4/20 0.35
RORC P51449 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
MAPK1 P28482 1/20 0.34
MCHR1 Q99705 1/20 0.33
CNR2 P34972 1/20 0.32
KMT2A Q03164 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
SCHEMBL5769742 0.87 CXCR4 (0.68) CXCR4TSHRKMT2A
SCHEMBL5768774 0.85 CXCR4 (0.45) CXCR4TSHRALDH1A1HTR6RORC
SCHEMBL1637878 0.77 CXCR4 (0.67) CXCR4KMT2A
SCHEMBL1206161 0.77 CXCR4 (1.00) CXCR4TSHRKMT2A
SCHEMBL1638369 0.76 CXCR4 (0.68) CXCR4TSHRKCNA5CNR2
SCHEMBL1637430 0.76 CXCR4 (0.63) CXCR4TSHRALDH1A1MAPK1KMT2A
SCHEMBL1205426 0.76 CXCR4 (0.71) CXCR4KMT2A
SCHEMBL1206264 0.75 RORC (0.48) ALDH1A1RORCMAPK1KMT2A
SCHEMBL14619885 0.75 CXCR4 (0.73) CXCR4TSHRKMT2A
SCHEMBL12507726 0.75 CXCR4 (0.52) CXCR4HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 86/4885TSHR 1111/4885ALDH1A1 2045/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885TSHR 1353/4885ALDH1A1 1901/4885

“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.