SCHEMBL1748702

SCHEMBL1748702

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)C(F)(F)F)c(NCc3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 1/20 0.44
PDK2 Q15119 1/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
P2RX7 Q99572 2/20 0.43
MET P08581 1/20 0.42
STS P08842 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.41
ALK Q9UM73 2/20 0.40
ENPP2 Q13822 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL5280864 0.91 SMN1; SMN2 (0.47) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1748250 0.88 SMN1; SMN2 (0.51) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL5280148 0.87 ACLY (0.43) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1748342 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1748154 0.83 SMN1; SMN2 (0.43) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL5277473 0.82 HTR6 (0.58) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL5021177 0.82 HTR6 (0.59) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1748204 0.82 HTR6 (0.50) HTTCYP2C19MAPTP2RX7ALDH1A1
Hydrochloric Acid SCHEMBL1748368 0.81 HTR6 (0.49) HTTCYP2C19MAPTP2RX7ALDH1A1
SCHEMBL5279597 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HTTNPSR1MEN1KMT2A

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 SMN1; SMN2 3858/4885HTT 375/4885NPSR1 128/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B SMN1; SMN2 3858/4885HTT 375/4885NPSR1 128/4885

“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.