SCHEMBL991771

SCHEMBL991771

CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)OCC)cc3)CC2)nc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.79
KCNH2 Q12809 3/20 0.54
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PDE10A Q9Y233 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
SCHEMBL30307024 1.00 HRH1 (0.79) HRH1KCNH2CYP2D6KDM4EPDE10A
SCHEMBL29506217 0.93 HRH1 (0.79) HRH1KCNH2CYP2D6
SCHEMBL3793927 0.93 HRH1 (0.79) HRH1KCNH2CYP2D6
Bilastine SCHEMBL991810 0.92 HRH1 (0.82) HRH1KCNH2CYP2D6KDM4E
Bilastine SCHEMBL29402994 0.92 HRH1 (0.82) HRH1KCNH2CYP2D6KDM4E
Bilastine SCHEMBL21815518 0.90 HRH1 (0.77) HRH1KCNH2CYP2D6KDM4E
Alinastine SCHEMBL142547 0.89 HRH1 (1.00) HRH1KCNH2
SCHEMBL4707799 0.87 HRH1 (0.83) HRH1KCNH2
SCHEMBL28422609 0.86 HRH1 (0.75) HRH1KCNH2CYP2D6KDM4E
SCHEMBL28422607 0.85 HRH1 (0.71) HRH1KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0818454-B1 Benzimidazole derivatives with antihistaminic activity ESPANOLA DE PRODUCTOSQUIMICOS (ES) 2004-04-14 EP claimed
US-5877187-A Benzimidazole derivatives with antihistaminic activity FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS S.A. (FAES) (ES) 1999-03-02 US claimed
EP-0818454-A1 Benzimidazole derivatives with antihistaminic activity FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1998-01-14 EP claimed
CN-107365297-B Preparation method and intermediate of 2-methyl-2' -phenylpropionic acid derivative 罗欣药业(上海)有限公司 2020-07-03 CN disclosed
US-8633223-B2 Process for preparation of 2-methyl-2′-phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2014-01-21 US disclosed
US-8487106-B2 Process for preparation of 2-methyl-2′-phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2013-07-16 US disclosed
US-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2013-05-09 US disclosed
US-20130116466-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2013-05-09 US disclosed
US-8367704-B2 Process for preparation of 2-methyl-2′ phenylpropionic acid derivatives and novel intermediate compounds YUHAN CORPORATION (KR) 2013-02-05 US disclosed
US-20110009636-A1 PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KP) 2011-01-13 US disclosed
EP-2240464-A2 PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS Yuhan Corporation (KR) 2010-10-20 EP disclosed
WO-2009102155-A2 PROCESS FOR PREPARATION OF 2-METHYL-2´-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS YUHAN CORPORATION (KR) 2009-08-20 WO disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 EP disclosed
EP-0818454-B1 Benzimidazole derivatives with antihistaminic activity ESPANOLA DE PRODUCTOSQUIMICOS (ES) 2004-04-14 EP disclosed
US-5877187-A Benzimidazole derivatives with antihistaminic activity FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS S.A. (FAES) (ES) 1999-03-02 US disclosed
EP-0818454-A1 Benzimidazole derivatives with antihistaminic activity FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1998-01-14 EP 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-20110009636-A1 PROCESS FOR THE PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH4, HCAR2, HRH1 HRH1 3/4885KCNH2 945/4885CYP2D6 231/4885
US-20130116439-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH2, HRH4, HNMT HRH1 4/4885KCNH2 711/4885CYP2D6 238/4885
US-20130116466-A1 PROCESS FOR PREPARATION OF 2-METHYL-2'-PHENYLPROPIONIC ACID DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS HRH1, HRH2, HRH4 HRH1 1/4885KCNH2 1065/4885CYP2D6 301/4885

“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.