SCHEMBL1748188

SCHEMBL1748188

CC(C)(C)OC(=O)N1CCN(c2cc(NCc3cccc(Cl)c3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.49
MET P08581 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
ACHE P22303 1/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ENPP2 Q13822 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1748838 0.92 ENPP2 (0.48) SERPINE1METLMNAMAPK1MAPT
SCHEMBL1748054 0.86 MAPT (0.58) SERPINE1METLMNAMAPTALDH1A1
SCHEMBL22712827 0.84 MET (0.51) METLMNAMAPK1MAPTALDH1A1
SCHEMBL30516389 0.84 MET (0.51) METLMNAMAPK1MAPTALDH1A1
SCHEMBL31066761 0.84 MET (0.51) METLMNAMAPK1MAPTALDH1A1
SCHEMBL953126 0.82 LMNA (0.61) LMNAMAPK1MAPTALDH1A1HTT
SCHEMBL475545 0.80 HTR6 (0.57) SERPINE1LMNAMAPK1MAPTALDH1A1
SCHEMBL5274095 0.79 HTR6 (0.57) LMNAMAPK1MAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL1748343 0.79 HTR6 (0.59) SERPINE1LMNAMAPK1MAPTALDH1A1
SCHEMBL21301932 0.78 ACHE (0.47) METMAPK1MAPTACHEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B SERPINE1 2292/4885MET 378/4885LMNA 4313/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B SERPINE1 2292/4885MET 378/4885LMNA 4313/4885

“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.