SCHEMBL68879

SCHEMBL68879

CCCCOc1cccc(CCN(CC(=O)NC)Cc2ccco2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.53
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ADRB2 P07550 1/20 0.46
KCNH2 Q12809 2/20 0.46
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEP1B Q16820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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 SCHEMBL69584 0.99 CYP2D6 (0.52) CYP2D6USP2MAPK1POLBALDH1A1
Hydrochloric Acid SCHEMBL69047 0.90 PPARA (0.47) CYP2D6POLBMEP1BTDP1
SCHEMBL68208 0.88 BCHE (0.49) CYP2D6POLBALDH1A1
Hydrochloric Acid SCHEMBL69455 0.87 BCHE (0.48) CYP2D6POLBALDH1A1
SCHEMBL14518392 0.85 POLB (0.43) POLBMEN1KMT2ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL68933 0.85 PPARA (0.41) POLBKCNH2MAPTTP53TDP1
Hydrochloric Acid SCHEMBL68539 0.84 MAOB (0.43) POLBMEN1KMT2AMAPTTP53
Hydrochloric Acid SCHEMBL69246 0.84 POLB (0.40) CYP2D6POLBALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL70222 0.84 PPARA (0.42) POLBALDH1A1MAPTTP53TDP1
Hydrochloric Acid SCHEMBL66444 0.84 LTA4H (0.46) POLBALDH1A1SMN1; SMN2

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 5 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 claimed
CN-101309909-B 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA 2012-11-14 CN claimed
US-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-08-30 US claimed
US-8129427-B2 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARMACEUTICALS S.P.A. (IT) 2012-03-06 US claimed
CN-101309909-B 2-phenylethylamino derivatives as calcium and/or sodium channel modulators NEWRON PHARM SPA 2012-11-14 CN 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 (1 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-20120220592-A1 2-PHENYLETHYLAMINO DERIVATIVES AS CALCIUM AND/OR SODIUM CHANNEL MODULATORS CACNA1A, CACNA1I, KCNN2 CYP2D6 3730/4885USP2 3537/4885MAPK1 2544/4885

“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.