SCHEMBL872557

SCHEMBL872557

CCOC(=O)NCCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 7/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41

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
SCHEMBL9856320 0.81 MAPT (0.60) MGLLKMT2AMEN1MAPTLMNA
SCHEMBL10008538 0.81 THRB (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL31146705 0.80 MAPT (0.46) KMT2AMEN1MAPTLMNAALOX12
SCHEMBL875776 0.79 HPGD (0.46) KMT2AMEN1MAPTLMNAALOX12
SCHEMBL16375297 0.79 MAPT (0.50) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL9190987 0.78 KMT2A (0.63) MGLLKMT2AMEN1MAPTLMNA
SCHEMBL12418237 0.77 CA1 (0.55) MGLL
SCHEMBL6772054 0.77 DPP8 (0.48) MGLLKMT2AMEN1MAPTLMNA
SCHEMBL872476 0.76 BCL9 (0.43) KMT2AMEN1MAPTLMNAALOX12
SCHEMBL27935675 0.76 CA1 (0.47) KMT2AMEN1MAPTLMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296681-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-9296681-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-9296681-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-9096515-B2 Methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-9096515-B2 Methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-9096515-B2 Methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20140066500-A1 CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140066500-A1 CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140066500-A1 CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2014-01-23 US disclosed
US-8604244-B2 Compositions, synthesis, and methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives REVIVA PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives REVIVA PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives REVIVA PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
WO-2012003501-A2 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
WO-2012003501-A2 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2012-01-05 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 (3 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-20140066500-A1 CYCLOALKYLMETHYLAMINES PNMT, TPH1, TPH2 MGLL 120/4885KMT2A 447/4885MEN1 3599/4885
US-20120172426-A1 Compositions, Synthesis, and Methods of Using Cycloalkylmethylamine Derivatives TPH1, TPH2, PNMT MGLL 120/4885KMT2A 751/4885MEN1 3849/4885
US-20140024709-A1 METHODS OF USING CYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, TPH1, TPH2 MGLL 153/4885KMT2A 503/4885MEN1 3724/4885

“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.