SCHEMBL70854

SCHEMBL70854

CNC(=O)CN(CCc1cccc(-c2c(C)noc2C)c1)Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.43
TSHR P16473 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 3/20 0.43
ALDH1A1 P00352 2/20 0.43
FFAR1 O14842 6/20 0.42
BRD4 O60885 4/20 0.41
BRD2 P25440 1/20 0.41
CREBBP Q92793 1/20 0.41
HDAC1 Q13547 1/20 0.40
LMNA P02545 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
Hydrochloric Acid SCHEMBL70412 0.81 ALDH1A1 (0.45) TSHRMAPK1HPGDSMN1; SMN2ALOX15
SCHEMBL69867 0.81 PPARA (0.42) TSHRMAPK1HPGDUSP2ALDH1A1
Hydrochloric Acid SCHEMBL69117 0.81 PPARA (0.41) TSHRMAPK1HPGDUSP2ALDH1A1
SCHEMBL69113 0.80 DRD2 (0.46)
Hydrochloric Acid SCHEMBL69811 0.79 PPARA (0.48) CYP2C19TSHRCYP1A2CYP3A4MAPK1
Hydrochloric Acid SCHEMBL70144 0.78 NPC1 (0.44) SMN1; SMN2HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL69134 0.77 CYP1A2 (0.42) CYP2C19TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL14518392 0.76 POLB (0.43) SMN1; SMN2
Hydrochloric Acid SCHEMBL68539 0.75 MAOB (0.43) FFAR1
SCHEMBL68208 0.74 BCHE (0.49) CYP2D6ALDH1A1

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 6 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

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 CYP2C19 2074/4885TSHR 1215/4885CYP1A2 1331/4885
US-20110046129-A1 2-Phenylethylamino Derivatives as Calcium and/or Sodium Channel Modulators CACNA1A, CACNA1I, KCNN2 CYP2C19 4243/4885TSHR 1859/4885CYP1A2 3020/4885
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 CYP2C19 4243/4885TSHR 1859/4885CYP1A2 3020/4885

“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.