SCHEMBL1637202

SCHEMBL1637202

CCCN(CCC)CCCCN(CC(=O)O)Cc1ccc(CN(Cc2ncc[nH]2)Cc2ncc[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.62
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBXAS1 P24557 2/20 0.39
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL1637031 0.91 CXCR4 (0.58) CXCR4TAAR1CYP2D6TSHRLMNA
SCHEMBL15510809 0.90 CXCR4 (0.57) CXCR4TAAR1CYP2D6TSHRLMNA
SCHEMBL1637972 0.89 CXCR4 (0.79) CXCR4PPARGPPARATAAR1CYP2D6
SCHEMBL1637114 0.87 CXCR4 (0.56) CXCR4TAAR1CYP2D6TSHRLMNA
SCHEMBL14426293 0.87 CXCR4 (0.55) CXCR4PPARGPPARATAAR1CYP2D6
SCHEMBL1638354 0.87 CXCR4 (0.77) CXCR4PPARGPPARATAAR1CYP2D6
SCHEMBL1636560 0.86 CXCR4 (0.55) CXCR4PPARGPPARATAAR1CYP2D6
SCHEMBL1637975 0.86 CXCR4 (0.51) CXCR4PPARGPPARATAAR1CYP2D6
SCHEMBL2626914 0.85 CXCR4 (0.74) CXCR4PPARGPPARATAAR1CYP2D6
Cadaverine Tartrate SCHEMBL15162047 0.85 CXCR4 (0.87) CXCR4PPARGPPARATAAR1CYP2D6

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 13 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
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-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-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 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
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 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 86/4885PPARG 2728/4885PPARA 2864/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885PPARG 2218/4885PPARA 2269/4885

“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.