SCHEMBL1638545

SCHEMBL1638545

CCCN(CCC)[C@H](CCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)C(C)c2ncc[nH]2)cc1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.42
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 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
SCHEMBL1637535 1.00 CXCR4 (0.42) CXCR4KMT2AMEN1ACHEMAOB
SCHEMBL1638532 0.91 CXCR4 (0.47) CXCR4KMT2AMEN1ACHEMAOB
SCHEMBL1206756 0.91 CXCR4 (0.47) CXCR4KMT2AMEN1ACHEMAOB
SCHEMBL1636501 0.91 CXCR4 (0.47) CXCR4KMT2AMEN1ACHEMAOB
SCHEMBL1636543 0.88 CXCR4 (0.41) CXCR4KMT2AMEN1ACHEMAOB
SCHEMBL1637977 0.87 CXCR4 (0.41) CXCR4
SCHEMBL1637507 0.87 CXCR4 (0.41) CXCR4
SCHEMBL1206163 0.81 CXCR4 (0.58) CXCR4KMT2AMEN1ACHEMAOB
SCHEMBL1637313 0.81 CXCR4 (0.55) CXCR4KMT2AMEN1ACHEMAOB
SCHEMBL1637121 0.80 CXCR4 (0.45) 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 7 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 claimed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US claimed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP claimed
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 86/4885KMT2A 474/4885MEN1 1008/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885KMT2A 488/4885MEN1 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.