SCHEMBL68141

SCHEMBL68141

CC(c1cccc(OS(=O)(=O)C(F)(F)F)c1)N(CC(=O)N(C)C)C1CCCO1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
DRD3 P35462 2/20 0.36
ACHE P22303 5/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 5/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MARK4 Q96L34 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL68142 0.79 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL67986 0.68 CYP2D6 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL28566145 0.67 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3
Hydrogen Peroxide SCHEMBL11143418 0.67 CXCR2 (0.46) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18707346 0.67 DRD2 (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL84488 0.67 CYP2D6 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1821733 0.67 PTGS1 (0.61) ALDH1A1HPGDLMNASMN1; SMN2MEN1
SCHEMBL8007159 0.66 CXCR2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18490225 0.65 FFAR1 (0.52)
SCHEMBL18490227 0.65 FFAR1 (0.52)

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-8470877-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2013-06-25 US disclosed
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-08-30 US disclosed
US-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 US disclosed
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2011-02-24 US disclosed
US-7855227-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-21 US disclosed
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 US disclosed
EP-1963280-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS Newron Pharmaceuticals S.p.A. (IT) 2008-09-03 EP disclosed
WO-2007071311-A1 2 -PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2007-06-28 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-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1E, CACNA1I DRD2 398/4885DRD1 686/4885DRD4 804/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 DRD2 1098/4885DRD1 2535/4885DRD4 2256/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 DRD2 1098/4885DRD1 2535/4885DRD4 2256/4885

“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.