SCHEMBL739486

SCHEMBL739486

CC(C)C(=O)NCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.56
NPSR1 Q6W5P4 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL12778197 0.90 ALDH1A1 (0.73) TSHRALDH1A1
SCHEMBL13573035 0.87 TSHR (0.62) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL12310314 0.87 TSHR (0.62) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL12310311 0.87 TSHR (0.62) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL6138380 0.84 TSHR (0.59) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL1726101 0.84 TSHR (0.59) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL13689024 0.84 TSHR (0.59) TSHRALDH1A1TDP1NPSR1CA12
SCHEMBL18347983 0.84 RAB9A (0.50) TSHRALDH1A1NPSR1CA12CA1
SCHEMBL9911466 0.84 RAB9A (0.54) TSHRALDH1A1NPSR1CA12CA1
SCHEMBL13588790 0.83 TDP1 (0.61) TSHRALDH1A1TDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
EP-3870573-B1 FUNCTIONALIZED AMINOTRIAZINES LEADXPRO AG (CH) 2023-08-02 EP disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US disclosed
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
US-7449465-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-11 US disclosed
US-7358250-B2 Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity AMGEN INC. (US) 2008-04-15 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF TSHR 3165/4885ALDH1A1 1842/4885TDP1 907/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 TSHR 1060/4885ALDH1A1 638/4885TDP1 2510/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK TSHR 3628/4885ALDH1A1 2932/4885TDP1 710/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 TSHR 3945/4885ALDH1A1 3576/4885TDP1 462/4885
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B TSHR 1657/4885ALDH1A1 4142/4885TDP1 182/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 TSHR 1602/4885ALDH1A1 1079/4885TDP1 1869/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK TSHR 3628/4885ALDH1A1 2932/4885TDP1 710/4885
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 TSHR 44/4885ALDH1A1 3232/4885TDP1 1500/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E TSHR 2111/4885ALDH1A1 411/4885TDP1 194/4885

“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.