SCHEMBL69161

SCHEMBL69161

COc1cc(CCNCC2CC2)ccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.69
NPC1 O15118 1/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
HTR1A P08908 1/20 0.59
HTR7 P34969 1/20 0.59
HTR6 P50406 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SLC2A1 P11166 1/20 0.58
KMT2A Q03164 2/20 0.57
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
NLRP3 Q96P20 1/20 0.56
ADRB2 P07550 1/20 0.55

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 SCHEMBL7272730 0.89 SLC2A1 (0.60) BCHERAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL68512 0.88 MEN1 (0.56) BCHENPC1PKMRAB9AHTR1A
SCHEMBL91436 0.86 BCHE (0.64) BCHENPC1PKMRAB9AHTR1A
SCHEMBL1965700 0.86 POLB (0.59) SMN1; SMN2KDM4ELMNAALDH1A1KMT2A
SCHEMBL1967751 0.85 CALM1 (0.53) BCHESMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL19532621 0.82 BCHE (1.00) BCHEHTR1AHTR7HTR6SMN1; SMN2
SCHEMBL13796232 0.81 BCHE (0.57) BCHENPC1PKMRAB9AHTR1A
SCHEMBL1970788 0.80 KMT2A (0.56) BCHESMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL13438704 0.80 KMT2A (0.53) SMN1; SMN2KDM4ELMNAALDH1A1KMT2A
SCHEMBL11934839 0.80 KMT2A (0.53) SMN1; SMN2KDM4ELMNAALDH1A1KMT2A

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 15 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-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-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-7855227-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2010-12-21 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
US-20080319057-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators NEWRON PHARMACEUTICALS S.P.A. 2008-12-25 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
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 BCHE 3957/4885NPC1 2394/4885PKM 721/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 BCHE 2604/4885NPC1 619/4885PKM 2133/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 BCHE 2604/4885NPC1 619/4885PKM 2133/4885

“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.