SCHEMBL5524161

SCHEMBL5524161

O=C(O)CCC(CNc1ccccn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
FDPS P14324 1/20 0.51
CPA3 P15088 1/20 0.49
ITGB3 P05106 2/20 0.45
ITGAV P06756 2/20 0.45
GAA P10253 2/20 0.44
FABP1 P07148 1/20 0.44
FABP6 P51161 1/20 0.44
MME P08473 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL5517106 0.85 CYP2D6 (0.55) CYP2D6FDPSCPA3ITGB3ITGAV
SCHEMBL1602630 0.82 CYP2D6 (0.55) CYP2D6FDPSGAAFABP1FABP6
SCHEMBL5509356 0.82 CPA3 (0.46) CPA3NPC1RAB9AMEN1KMT2A
SCHEMBL5508265 0.79 CPA3 (0.57) CYP2D6CPA3GAAALDH1A1CYP2C19
SCHEMBL2361200 0.78 CYP2D6 (0.50) CYP2D6FDPSITGB3ITGAVGAA
SCHEMBL15156600 0.77 CYP2D6 (0.64) CYP2D6FDPSGAAFABP1FABP6
SCHEMBL243759 0.77 ITGB3 (0.63) CYP2D6FDPSITGB3ITGAVGAA
SCHEMBL15208486 0.76 CYP2D6 (0.58) CYP2D6FDPSITGB3ITGAVGAA
SCHEMBL15208481 0.76 CYP2D6 (0.58) CYP2D6FDPSITGB3ITGAVGAA
SCHEMBL30919988 0.76 CYP2D6 (0.58) CYP2D6FDPSITGB3ITGAVGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy TPAT IP LLC 2018-05-17 US disclosed
US-9867813-B2 Aminopyridine based buffers with wide buffering ranges, antibiotics and myelin disease therapy TPAT IP LLC 2018-01-16 US disclosed
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy TPAT IP LLC 2017-05-18 US disclosed
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 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-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG CYP2D6 3652/4885FDPS 3997/4885CPA3 2255/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG CYP2D6 3559/4885FDPS 4141/4885CPA3 2280/4885

“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.