SCHEMBL1638428

SCHEMBL1638428

CCCN(CCC)CCCCNC(=O)c1ccc(CNCc2nccn2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.52
DRD3 P35462 5/20 0.52
DRD2 P14416 1/20 0.52
CXCR4 P61073 3/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAMPT P43490 1/20 0.39
GAA P10253 1/20 0.39
DRD1 P21728 4/20 0.39
HTR2C P28335 4/20 0.39
DRD5 P21918 3/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1205965 0.87 CXCR4 (0.56) DRD4DRD3DRD2CXCR4NAAA
SCHEMBL1638245 0.83 METTL3 (0.42) DRD4DRD3DRD2CXCR4
SCHEMBL6652949 0.80 KMT2A (0.42) DRD4DRD3DRD2CXCR4MEN1
SCHEMBL6653683 0.80 LMNA (0.39) DRD4DRD3DRD2CXCR4MEN1
SCHEMBL1206752 0.80 MEN1 (0.45) CXCR4MEN1KMT2ANAMPT
SCHEMBL1205350 0.80 CXCR4 (0.70) DRD4DRD3DRD2CXCR4KMT2A
SCHEMBL6651549 0.80 CXCR4 (0.39) DRD4DRD3DRD2CXCR4MEN1
SCHEMBL12507647 0.80 CXCR4 (0.68) DRD4DRD3DRD2CXCR4KMT2A
SCHEMBL1637445 0.79 CXCR4 (0.48) DRD4DRD3DRD2CXCR4MEN1
SCHEMBL12426518 0.78 CXCR4 (0.49) CXCR4MEN1KMT2ASMN1; SMN2

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 DRD4 834/4885DRD3 283/4885DRD2 175/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 DRD4 1069/4885DRD3 435/4885DRD2 257/4885

“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.