SCHEMBL1637433

SCHEMBL1637433

CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2nccn2CC(=O)OCC)C(C)c2ncc[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.49
FPR2 P25090 4/20 0.39
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LTA4H P09960 2/20 0.31
MAPK1 P28482 1/20 0.30
TSHR P16473 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL1636573 0.91 CXCR4 (0.48) CXCR4FPR2MEN1KMT2ALTA4H
SCHEMBL1637880 0.90 CXCR4 (0.54) CXCR4FPR2MEN1KMT2A
SCHEMBL1636570 0.84 CXCR4 (0.55) CXCR4FPR2MEN1KMT2ALTA4H
SCHEMBL1637093 0.81 CXCR4 (0.53) CXCR4FPR2MEN1KMT2A
SCHEMBL1637430 0.80 CXCR4 (0.63) CXCR4FPR2MEN1KMT2ALTA4H
SCHEMBL2189971 0.79 CXCR4 (0.45) CXCR4LTA4HDRD2
SCHEMBL1206163 0.78 CXCR4 (0.58) CXCR4MEN1KMT2ATSHR
SCHEMBL1637155 0.77 CXCR4 (0.44) CXCR4LTA4HDRD2
SCHEMBL1205423 0.76 CXCR4 (0.46) CXCR4MEN1KMT2ATSHR
SCHEMBL1637313 0.76 CXCR4 (0.55) CXCR4MEN1KMT2ALTA4HTSHR

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 86/4885FPR2 152/4885MEN1 1008/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885FPR2 137/4885MEN1 1361/4885

“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.