SCHEMBL564873

SCHEMBL564873

Cc1cc(F)ccc1CC(C)(C)N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
IDO1 P14902 4/20 0.36
AGXT P21549 2/20 0.36
NR3C2 P08235 2/20 0.36
NR3C1 P04150 2/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
P2RX7 Q99572 3/20 0.34
MMP1 P03956 2/20 0.33
RIPK1 Q13546 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PGR P06401 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL12870197 0.84 NR3C1 (0.36) IDO1AGXTNR3C2NR3C1P2RX7
SCHEMBL564877 0.82 IDO1 (0.50) SLC6A2TAAR1IDO1AGXTHTR2A
SCHEMBL564609 0.79 NPC1 (0.43) SLC6A2NR3C2NR3C1HTR2ASLC6A4
SCHEMBL33527402 0.79 NR3C1 (0.36) SLC6A2TAAR1IDO1AGXTNR3C1
SCHEMBL25596379 0.77 ESR2 (0.41) SLC6A2TAAR1HTR2BTSHR
SCHEMBL2475943 0.75 MPO (0.44) SLC6A2TAAR1IDO1AGXTNR3C2
Methane SCHEMBL28129375 0.74 MPO (0.43) SLC6A2TAAR1IDO1AGXTNR3C2
SCHEMBL27207997 0.73 LPL (0.36) SLC6A2TAAR1HTR2ASLC6A4HRH1
SCHEMBL565200 0.73 P2RX7 (0.34) NR3C2NR3C1HTR2ASLC6A4P2RX7
SCHEMBL8802364 0.73 KDM4E (0.41) NR3C2P2RX7MMP1RIPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-08-17 US disclosed
US-11046653-B2 2021-06-29 US disclosed
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-26 US disclosed
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-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 (9 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 SLC6A2 1271/4885TAAR1 197/4885IDO1 2974/4885
US-11046653-B2 CYP4F11, NOTUM, CYP2F1 SLC6A2 230/4885TAAR1 3645/4885IDO1 491/4885
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 SLC6A2 1298/4885TAAR1 1628/4885IDO1 2838/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR SLC6A2 3026/4885TAAR1 1634/4885IDO1 2893/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 SLC6A2 2004/4885TAAR1 1403/4885IDO1 1760/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B SLC6A2 713/4885TAAR1 1133/4885IDO1 2797/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 SLC6A2 1271/4885TAAR1 197/4885IDO1 2974/4885
US-20200369619-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, NOTUM, WEE2 SLC6A2 668/4885TAAR1 4493/4885IDO1 750/4885
US-11091442-B2 Fluorosulfonyl-containing compound, intermediate thereof, preparation method therefor and use thereof WEE1, NOTUM, WEE2 SLC6A2 668/4885TAAR1 4493/4885IDO1 750/4885

“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.