SCHEMBL29508554

SCHEMBL29508554

COc1ccc(CC(C)(C)NCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 18/20 0.58
ADRB2 P07550 6/20 0.48
ADRB3 P13945 4/20 0.48
CYP2D6 P10635 3/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
KCNH2 Q12809 3/20 0.47
ADRB1 P08588 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11497469 0.81 CASR (0.71) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL5527612 0.80 CASR (0.59) CASR
Etolorex SCHEMBL164620 0.79 SLC6A4 (0.48) CASRADRB2CYP2D6SLC6A2SLC6A4
SCHEMBL21776166 0.79 CASR (0.52) CASR
SCHEMBL355745 0.78 CASR (0.51) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL14383134 0.78 CASR (0.62) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL5511560 0.77 CASR (0.67) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL5519885 0.77 CASR (0.56) CASRSMN1; SMN2
Hydrochloric Acid SCHEMBL5511543 0.77 CASR (0.61) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL14004086 0.77 LMNA (0.59) CASRCYP2D6

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-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
US-12378222-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2025-08-05 US disclosed
EP-4577550-A1 NOVEL NLRP3 INFLAMMASOME INHIBITORS Hangzhou Highlightll Pharmaceutical Co., Ltd. (CN) 2025-07-02 EP disclosed
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-20250206742-A1 NLRP3 INFLAMMASOME INHIBITORS HANGZHOU HIGHLIGHTLL PHARMACEUTICAL CO., LTD (CN) 2025-06-26 US disclosed
EP-4565326-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2025-06-11 EP disclosed
EP-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 EP disclosed
CN-119732956-A NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2025-04-01 CN disclosed
CN-119677725-A NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2025-03-21 CN disclosed
CN-113784957-B NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2025-02-28 CN disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-30 US disclosed
US-20220251067-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2022-08-11 US disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
US-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ANOVENT PHARMACEUTICAL (U.S.), LLC (US) 2022-06-28 US disclosed
EP-2954891-B1 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF ASTHMA ALMIRALL SA (ES) 2022-05-04 EP disclosed
EP-2954889-B1 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALMIRALL SA (ES) 2022-05-04 EP disclosed
EP-3969441-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2022-03-23 EP disclosed
US-11254653-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2022-02-22 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 (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-20250206742-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 CASR 455/4885ADRB2 1062/4885ADRB3 483/4885
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CASR 249/4885ADRB2 522/4885ADRB3 421/4885
US-11254653-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 CASR 349/4885ADRB2 528/4885ADRB3 205/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CASR 249/4885ADRB2 522/4885ADRB3 421/4885
US-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ADRB2, ADRB1, ADRA2B CASR 1894/4885ADRB2 1/4885ADRB3 6/4885
US-20220251067-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 CASR 349/4885ADRB2 528/4885ADRB3 205/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CASR 249/4885ADRB2 522/4885ADRB3 421/4885
US-12378222-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 CASR 337/4885ADRB2 563/4885ADRB3 208/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 CASR 349/4885ADRB2 528/4885ADRB3 205/4885

“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.