SCHEMBL5603765

SCHEMBL5603765

COC(=O)C(C)(C)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.82
LMNA P02545 3/20 0.82
DRD3 P35462 3/20 0.82
KCNH2 Q12809 3/20 0.82
HTR2A P28223 2/20 0.82
HTR2B P41595 2/20 0.82
BLM P54132 2/20 0.82
CNR1 P21554 1/20 0.82
APEX1 P27695 1/20 0.82
PDE4A P27815 1/20 0.82
PDE3A Q14432 1/20 0.82
DRD2 P14416 2/20 0.80
ALOX15 P16050 1/20 0.80
HSD17B10 Q99714 1/20 0.80
CYP2J2 P51589 4/20 0.74
MEN1 O00255 1/20 0.74
NPC1 O15118 1/20 0.74
CACNA1F O60840 1/20 0.74
GMNN O75496 1/20 0.74
USP2 O75604 1/20 0.74

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
SCHEMBL1969969 1.00 HRH1 (0.82) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL5603264 1.00 HRH1 (0.82) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL6826935 0.93 LMNA (0.71) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL25883699 0.93 HRH1 (0.79) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL2454926 0.92 HRH1 (0.69) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL18609222 0.91 HRH1 (0.68) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL5999820 0.91 HRH1 (0.79) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL5999809 0.91 HRH1 (0.79) HRH1LMNADRD3KCNH2HTR2A
SCHEMBL1968090 0.91 HRH1 (0.79) HRH1LMNADRD3KCNH2HTR2A
Fexofenadine SCHEMBL1561082 0.90 HRH1 (1.00) HRH1LMNADRD3KCNH2HTR2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701443-A1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR, INC. (US) 1996-03-20 EP claimed
WO-1994003170-A1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR INC. (US) 1994-02-17 WO claimed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-8404715-B2 Methods and compositions using racemic, (R)-, and (S)-fexofenadine in combination with leukotriene inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120149730-A1 METHODS AND COMPOSITIONS USING RACEMIC, (R)-, AND (S)-FEXOFENADINE IN COMBINATION WITH LEUKOTRIENE INHIBITORS RUBIN PAUL D (US) 2012-06-14 US disclosed
EP-1214937-B1 Terfenadine carboxylate and the treatment of dermal irritation SEPRACOR INC (US) 2007-05-30 EP disclosed
EP-1707216-A1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors Sepracor Inc. (US) 2006-10-04 EP disclosed
EP-1688142-A1 Terfenadine carboxylate and the treatment of dermal irritation Sepracor Inc. (US) 2006-08-09 EP disclosed
EP-1071463-B1 METHODS AND COMPOSITIONS USING TERFENADINE METABOLITES IN COMBINATION WITH LEUKOTRIENE INHIBITORS SEPRACOR INC (US) 2006-06-07 EP disclosed
EP-0815860-B1 Terfenadine carboxylate and the treatment of allergic disorders SEPRACOR INC (US) 2006-04-12 EP disclosed
US-20030083343-A1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors SEPRACOR INC. 2003-05-01 US disclosed
US-6509353-B1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors SEPRACOR INC. 2003-01-21 US disclosed
EP-1214937-A2 Terfenadine carboxylate and the treatment of dermal irritation Sepracor Inc. (US) 2002-06-19 EP disclosed
US-6194431-B1 Methods and compositions using terfenadine metabolites in combination with leukotriene inhibitors SUNOVION PHARMACEUTICALS INC. 2001-02-27 US disclosed
EP-0701443-B2 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR INC (US) 2000-11-22 EP disclosed
EP-0701443-B1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR INC (US) 1998-01-21 EP disclosed
EP-0815860-A2 Terfenadine carboxylate and the treatment of allergic disorders SEPRACOR, INC. (US) 1998-01-07 EP disclosed
EP-0701443-A1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR, INC. (US) 1996-03-20 EP disclosed
WO-1994003170-A1 TERFENADINE METABOLITES AND THEIR OPTICALLY PURE ISOMERS FOR TREATING ALLERGIC DISORDERS SEPRACOR INC. (US) 1994-02-17 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 (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-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO HRH1 1562/4885LMNA 1841/4885DRD3 4524/4885

“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.