SCHEMBL564559

SCHEMBL564559

CC(=O)NC(C)(C)Cc1ccc(C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.50
ADRB1 P08588 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GHSR Q92847 1/20 0.42
RAB9A P51151 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL21160945 0.88 ACACB (0.59) ACACBALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL3640956 0.81 ACACB (0.54) ACACBALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL564817 0.81 ACACB (0.57) ACACBADRB1ALDH1A1CYP2C9CYP3A4
SCHEMBL8384266 0.79 KDM4E (0.53) ACACBALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL6621894 0.79 ACACB (0.52) ACACBALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL255803 0.79 ACACB (0.52) ACACBALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL6514301 0.79 ALDH1A1 (0.65) ACACBALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL16341200 0.77 ACACB (0.60) ACACBRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11846076 0.77 ACACB (0.50) ACACBALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL6501640 0.76 ACACB (0.49) ACACBALDH1A1CYP2C9CYP3A4CYP2C19

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562603-B3 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2014-01-08 EP disclosed
EP-1765355-B1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-03-06 EP disclosed
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8044046-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2011-10-25 US disclosed
CN-101817800-A Novel medicaments for the treatment of chronic obstructive pulmonary diseases BOEHRINGER INGELHEIM PHARMA 2010-09-01 CN disclosed
US-7786111-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-31 US disclosed
CN-101735166-A Novel medicaments for the treatment of chronic obstructive pulmonary diseases BOEHRINGER INGELHEIM PHARMA 2010-06-16 CN disclosed
US-7727984-B2 R-6-Hydroxy-8-{1-hydroxy-2-[2-(4-methoxy-phenyl)-1,1-dimethyl-ethylamino ]-ethyl}-4H-benzo[1,4]oxazin-3-one, or an acid addition salt thereof; betamimetics; for administration once a day for treating COPD BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2010-06-01 US disclosed
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
EP-1562603-B1 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
WO-2005110421-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
WO-2005102350-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US disclosed
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-06 US disclosed
EP-1562603-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-17 EP disclosed
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-29 US disclosed
WO-2004045618-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 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 (7 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-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 ACACB 2328/4885ADRB1 1/4885ALDH1A1 1035/4885
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES MRGPRX2, MRGPRX1, CFTR ACACB 3213/4885ADRB1 115/4885ALDH1A1 1082/4885
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 ACACB 1990/4885ADRB1 38/4885ALDH1A1 663/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR ACACB 3213/4885ADRB1 115/4885ALDH1A1 1082/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 ACACB 1255/4885ADRB1 56/4885ALDH1A1 367/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B ACACB 3033/4885ADRB1 73/4885ALDH1A1 784/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 ACACB 2328/4885ADRB1 1/4885ALDH1A1 1035/4885

“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.