SCHEMBL1637510

SCHEMBL1637510

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.57
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
TNF P01375 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL1636503 0.91 CXCR4 (0.63) CXCR4POLBKMT2ANPC1L3MBTL1
SCHEMBL1636544 0.88 CXCR4 (0.56) CXCR4POLBKMT2ATSHRNPSR1
SCHEMBL1637150 0.83 CXCR4 (0.70) CXCR4POLBKMT2ATSHRNPSR1
SCHEMBL1638568 0.83 CXCR4 (0.50) CXCR4
SCHEMBL1637511 0.82 CXCR4 (0.66) CXCR4POLBKMT2ANPC1L3MBTL1
SCHEMBL1637981 0.82 CXCR4 (0.66) CXCR4POLBKMT2ANPC1L3MBTL1
SCHEMBL1638543 0.81 CXCR4 (0.68) CXCR4POLBKMT2ATSHRNPC1
SCHEMBL12417070 0.81 CXCR4 (0.68) CXCR4POLBKMT2ATSHRNPC1
SCHEMBL1637532 0.81 CXCR4 (0.68) CXCR4POLBKMT2ATSHRNPC1
SCHEMBL2189962 0.81 CXCR4 (0.73) CXCR4POLBKMT2ATSHRNPSR1

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 86/4885POLB 2350/4885KMT2A 474/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885POLB 2259/4885KMT2A 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.