SCHEMBL1637093

SCHEMBL1637093

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.53
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FNTA P49354 1/20 0.31
PGGT1B P53609 1/20 0.31
FPR2 P25090 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 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
SCHEMBL1637880 0.90 CXCR4 (0.54) CXCR4MEN1KMT2AFPR2AGTR1
SCHEMBL1636573 0.88 CXCR4 (0.48) CXCR4MEN1KMT2AFPR2
SCHEMBL1637089 0.81 CXCR4 (0.60) CXCR4MEN1KMT2AFPR2
SCHEMBL1637433 0.81 CXCR4 (0.49) CXCR4MEN1KMT2AFPR2
SCHEMBL1637878 0.78 CXCR4 (0.67) CXCR4MEN1KMT2A
SCHEMBL12762479 0.73 CXCR4 (0.53) CXCR4MEN1KMT2A
SCHEMBL12762478 0.73 CXCR4 (0.51) CXCR4MEN1KMT2A
SCHEMBL1637313 0.72 CXCR4 (0.55) CXCR4MEN1KMT2A
SCHEMBL1636570 0.71 CXCR4 (0.55) CXCR4MEN1KMT2AFPR2
SCHEMBL1637899 0.71 CXCR4 (0.44) CXCR4FNTAPGGT1BFPR2

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 86/4885MEN1 1008/4885KMT2A 474/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885MEN1 1361/4885KMT2A 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.