SCHEMBL68220

SCHEMBL68220

COc1cc(CCN(CC(=O)N(C)C)c2nccs2)ccc1OCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
APP P05067 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PABPC1 P11940 1/20 0.39

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
Hydrochloric Acid SCHEMBL68808 0.85 CYP2D6 (0.44) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL69033 0.82 KDM4E (0.53) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL69227 0.80 CYP2D6 (0.46) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL69156 0.80 APP (0.51) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL69220 0.79 TRPM8 (0.46) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL70716 0.79 APP (0.46) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL70046 0.79 KMT2A (0.56) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL70759 0.78 KMT2A (0.55) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL68031 0.78 LMNA (0.45) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL70388 0.76 HTR2A (0.45) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9

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 KDM4E 2032/4885CYP1A2 1331/4885CYP3A4 2504/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 KDM4E 2642/4885CYP1A2 3020/4885CYP3A4 3594/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 KDM4E 2642/4885CYP1A2 3020/4885CYP3A4 3594/4885

“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.