SCHEMBL564834

SCHEMBL564834

CC(C)c1ccc(CC(C)(C)N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.63
HTR2A P28223 1/20 0.63
SLC6A4 P31645 1/20 0.63
HRH1 P35367 1/20 0.63
HTR2B P41595 1/20 0.63
CHRNA4 P43681 1/20 0.63
SLC6A3 Q01959 1/20 0.63
TAAR1 Q96RJ0 1/20 0.56
GHSR Q92847 2/20 0.52
IDO1 P14902 2/20 0.50
ADRB1 P08588 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PYCR1 P32322 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.37

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 SCHEMBL8528039 0.98 SLC6A2 (0.61) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL25490409 0.82 ESR1 (0.54) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL29999395 0.82 IDO1 (0.46) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL228926 0.81 SLC6A2 (0.67) SLC6A2HTR2ASLC6A4HRH1HTR2B
Hydrochloric Acid SCHEMBL5831539 0.79 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL5708352 0.79 SLC6A2 (0.64) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL23458259 0.79 IDO1 (0.47) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL23458356 0.79 IDO1 (0.47) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL247421 0.78 IDO1 (0.45) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL2829730 0.77 PTGS2 (0.59) SLC6A2HTR2ASLC6A4HRH1HTR2B

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 48 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
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 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
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
EP-0901459-B1 CALCILYTIC COMPOUNDS NPS PHARMA INC (US) 2005-06-29 EP disclosed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 US disclosed
US-6818660-B2 FOR INHIBITING CALCIUM RECEPTOR ACTIVIT; TO STIMULATE SECRETION OF PARATHYROID HORMONE (PTH); FOR BONE FORMATION NPS PHARMACEUTICALS, INC. 2004-11-16 US 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
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-6432656-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 US disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 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 (4 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-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 SLC6A2 1690/4885HTR2A 2600/4885SLC6A4 2160/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 SLC6A2 2004/4885HTR2A 3674/4885SLC6A4 2410/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 SLC6A2 1271/4885HTR2A 1144/4885SLC6A4 2757/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL SLC6A2 1481/4885HTR2A 2663/4885SLC6A4 1864/4885

“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.