SCHEMBL29508557

SCHEMBL29508557

CCCCOc1ccc(CC(C)(C)NCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.53
ACACB O00763 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL29508554 0.81 CASR (0.58) CASRSMN1; SMN2CYP2D6
SCHEMBL353903 0.78 ACACB (0.51) CASRACACBSMN1; SMN2ALDH1A1LMNA
SCHEMBL1908631 0.76 LTA4H (0.50) SMN1; SMN2ALDH1A1USP2LMNACYP3A4
Etolorex SCHEMBL164620 0.74 SLC6A4 (0.48) CASRALDH1A1LMNACYP3A4CYP1A2
SCHEMBL6439235 0.74 CASR (0.65) CASRALDH1A1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL5512676 0.73 CASR (0.64) CASRALDH1A1MEN1KMT2ACYP2D6
SCHEMBL5521284 0.73 CASR (0.64) CASRMEN1KMT2ACYP2D6
SCHEMBL613971 0.73 SLC6A2 (0.50) SMN1; SMN2LMNAKDM4ECYP1A2CYP2D6
SCHEMBL5511560 0.72 CASR (0.67) CASRALDH1A1MEN1KMT2ACYP2D6
SCHEMBL7837295 0.72 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1MEN1KMT2AUSP2

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 36 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-2954889-B1 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALMIRALL SA (ES) 2022-05-04 EP disclosed
EP-2954891-B1 INHALATION COMPOSITION CONTAINING ACLIDINIUM FOR TREATMENT OF ASTHMA 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 455/4885ACACB 2862/4885SMN1; SMN2 4611/4885
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CASR 249/4885ACACB 4063/4885SMN1; SMN2 4751/4885
US-11254653-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 CASR 349/4885ACACB 3927/4885SMN1; SMN2 4766/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CASR 249/4885ACACB 4063/4885SMN1; SMN2 4751/4885
US-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ADRB2, ADRB1, ADRA2B CASR 1894/4885ACACB 2363/4885SMN1; SMN2 1676/4885
US-20220251067-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 CASR 349/4885ACACB 3927/4885SMN1; SMN2 4766/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CASR 249/4885ACACB 4063/4885SMN1; SMN2 4751/4885
US-12378222-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 CASR 337/4885ACACB 3751/4885SMN1; SMN2 4721/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 CASR 349/4885ACACB 3927/4885SMN1; SMN2 4766/4885

“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.