SCHEMBL1638431

SCHEMBL1638431

CCCN(CCC)CCCCNC(=O)c1ccc(CNC(C)c2ncc[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.52
DRD4 P21917 9/20 0.51
DRD3 P35462 9/20 0.51
DRD2 P14416 4/20 0.51
KMT2A Q03164 1/20 0.40
RORC P51449 1/20 0.39
NAAA Q02083 1/20 0.39
NAMPT P43490 1/20 0.39
DRD1 P21728 8/20 0.39
HTR2C P28335 8/20 0.39
DRD5 P21918 3/20 0.39
ESRRG P62508 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1205966 0.85 DRD4 (0.51) CXCR4DRD4DRD3DRD2KMT2A
SCHEMBL1638247 0.83 METTL3 (0.41) CXCR4DRD4DRD3DRD2RAB9A
SCHEMBL6653370 0.82 CXCR4 (0.42) CXCR4DRD4DRD3DRD2NAMPT
SCHEMBL6653685 0.82 CXCR4 (0.40) CXCR4DRD4DRD3DRD2L3MBTL1
SCHEMBL6652952 0.81 CXCR4 (0.41) CXCR4DRD4DRD3DRD2KMT2A
SCHEMBL12507647 0.81 CXCR4 (0.68) CXCR4DRD4DRD3DRD2KMT2A
SCHEMBL1205352 0.81 CXCR4 (0.55) CXCR4DRD4DRD3DRD2KMT2A
SCHEMBL1206754 0.81 FPR2 (0.43) CXCR4RORCNAMPT
SCHEMBL6131602 0.79 CXCR4 (0.53) CXCR4DRD4DRD3DRD2KMT2A
SCHEMBL2201357 0.79 CXCR4 (0.44) CXCR4RORC

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 86/4885DRD4 834/4885DRD3 283/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885DRD4 1069/4885DRD3 435/4885

“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.