SCHEMBL1637270

SCHEMBL1637270

CCCN(CCC)CCCCN(S)C(=O)Nc1ccc(CNCc2ncc[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.55
FPR2 P25090 2/20 0.40
ICMT O60725 2/20 0.35
ALB P02768 2/20 0.35
RORC P51449 2/20 0.34
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NAMPT P43490 1/20 0.33
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32
HPGD P15428 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ADORA2A P29274 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL1637290 0.84 CXCR4 (0.63) CXCR4FPR2RORCNAMPTHTT
SCHEMBL2694469 0.82 CXCR4 (0.76) CXCR4FPR2RORCADRB1ADRB3
SCHEMBL1637267 0.80 CXCR4 (0.55) CXCR4FPR2HTT
SCHEMBL1636365 0.79 CXCR4 (0.68) CXCR4FPR2RORC
SCHEMBL1206373 0.79 CXCR4 (0.69) CXCR4NAMPT
SCHEMBL4953981 0.79 CXCR4 (0.60) CXCR4TAAR1
SCHEMBL12507647 0.78 CXCR4 (0.68) CXCR4NAMPT
SCHEMBL12894415 0.78 CXCR4 (0.55) CXCR4FPR2RORCNAMPTHTT
SCHEMBL1638175 0.78 CXCR4 (0.59) CXCR4TAAR1
SCHEMBL1637139 0.77 CXCR4 (0.60) 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 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 86/4885FPR2 152/4885ICMT 3170/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885FPR2 137/4885ICMT 3084/4885

“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.