SCHEMBL1638752

SCHEMBL1638752

CCCN(CCC)CCCCN(CC(=O)OC)Cc1ccc(CN(Cc2nccn2C)Cc2nccn2CC(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.55
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNA5 P22460 1/20 0.33
FPR2 P25090 1/20 0.33
LMNA P02545 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
SCHEMBL1637333 0.94 CXCR4 (0.61) CXCR4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1638557 0.87 CXCR4 (0.74) CXCR4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1637893 0.86 CXCR4 (0.61) CXCR4MEN1KMT2AKCNA5FPR2
SCHEMBL1638006 0.85 CXCR4 (0.60) CXCR4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1637430 0.84 CXCR4 (0.63) CXCR4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1637248 0.83 CXCR4 (0.67) CXCR4MEN1KMT2AKCNA5
SCHEMBL2192899 0.81 CXCR4 (0.47) CXCR4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1637878 0.81 CXCR4 (0.67) CXCR4MEN1KMT2A
SCHEMBL1638094 0.80 CXCR4 (0.71) CXCR4MEN1KMT2ACYP3A4CYP2C9
SCHEMBL2189962 0.79 CXCR4 (0.73) CXCR4MEN1KMT2ACYP3A4CYP2C9

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
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 86/4885MEN1 1008/4885KMT2A 474/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885MEN1 1361/4885KMT2A 488/4885

“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.