SCHEMBL1636503

SCHEMBL1636503

CCCN(CCC)C(CCCC(=O)O)N(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.63
TBXAS1 P24557 2/20 0.36
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.31
KCNA5 P22460 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
SCHEMBL1637510 0.91 CXCR4 (0.57) CXCR4KMT2ANPC1POLBL3MBTL1
SCHEMBL1292671 0.82 CXCR4 (0.75) CXCR4TBXAS1KMT2ANPC1POLB
SCHEMBL1637382 0.82 CXCR4 (0.74) CXCR4KMT2ANPC1POLBL3MBTL1
SCHEMBL1637501 0.82 CXCR4 (0.74) CXCR4KMT2ANPC1POLBL3MBTL1
SCHEMBL1206904 0.82 CXCR4 (0.74) CXCR4KMT2ANPC1POLBL3MBTL1
SCHEMBL1206755 0.81 CXCR4 (0.75) CXCR4KMT2ANPC1POLBL3MBTL1
SCHEMBL1638529 0.81 CXCR4 (0.75) CXCR4KMT2ANPC1POLBL3MBTL1
SCHEMBL1636499 0.81 CXCR4 (0.75) CXCR4KMT2ANPC1POLBL3MBTL1
SCHEMBL1638354 0.80 CXCR4 (0.77) CXCR4TBXAS1KMT2ANPC1POLB
SCHEMBL1637972 0.80 CXCR4 (0.79) CXCR4TBXAS1KMT2ANPC1POLB

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 86/4885TBXAS1 2904/4885KMT2A 474/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885TBXAS1 2017/4885KMT2A 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.