Butylamine

Butylamine

SCHEMBL6354985

CCCCN.NC(Cc1ccc(CP(=O)(O)O)cc1)C(=O)O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.53
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PTPN1 P18031 1/20 0.49
SLC7A5 Q01650 2/20 0.49
ENPP2 Q13822 2/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.44
DGAT2 Q96PD7 1/20 0.44

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
SCHEMBL738554 0.87 PTPRC (0.67) PTPRCPTPN1SLC7A5ALPIPKM
SCHEMBL738555 0.87 PTPRC (0.67) PTPRCPTPN1SLC7A5ALPIPKM
SCHEMBL12501710 0.87 PTPRC (0.67) PTPRCPTPN1SLC7A5ALPIPKM
Hydrochloric Acid SCHEMBL9556543 0.85 PTPRC (0.65) PTPRCPTPN1SLC7A5ALPIPKM
Hydrochloric Acid SCHEMBL9556546 0.85 PTPRC (0.65) PTPRCPTPN1SLC7A5ALPIPKM
Tyrosine SCHEMBL27823202 0.79 SLC7A5 (0.71) ITGB3ITGA2BSLC7A5ALPIPKM
Dl-Phenylalanine SCHEMBL27802522 0.79 SLC7A5 (0.69) ITGB3ITGA2BSLC7A5ALPIPKM
Tyrosine SCHEMBL27812770 0.78 SLC7A5 (0.65) ITGB3ITGA2BSLC7A5ALPIPKM
SCHEMBL14317337 0.78 PTPRC (0.50) PTPRCPTPN1SLC7A5ENPP2
Levodopa SCHEMBL27272892 0.77 SLC7A5 (0.75) ITGB3ITGA2BSLC7A5ALPIPKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057877-A1 Therapeutic polyamine compositions and their synthesis MURPHY MICHAEL A (US) 2014-02-27 US disclosed
CN-1688298-A Composition, Synthesis and Therapeutic Use of Polyamines MURPHY MICHAEL A (US) 2005-10-26 CN disclosed
US-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines MURPHY, MICHAEL A. 2005-04-21 US disclosed
EP-1465611-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES Murphy, Michael A. (US) 2004-10-13 EP disclosed
WO-2003051348-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES MURPHY MICHAEL A (US) 2003-06-26 WO 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-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines PRDX5, PINK1, ARG2 PTPRC 437/4885ITGB3 2301/4885ITGA2B 2154/4885
US-20140057877-A1 Therapeutic polyamine compositions and their synthesis MCU, PC, PINK1 PTPRC 402/4885ITGB3 2561/4885ITGA2B 2537/4885

“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.