SCHEMBL3405894

SCHEMBL3405894

CC(C)(C)OC(=O)C1CC(N)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAPK1 P28482 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ NR1H2 P55055 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL17883906 1.00 HRH3 (0.39) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL17883938 1.00 HRH3 (0.39) HRH3MAPK1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL30660867 0.98 HRH3 (0.38) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL18347537 0.89 HRH3 (0.34) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL1298062 0.86 HRH3 (0.43) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL21169562 0.86 HRH3 (0.40) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL17679765 0.86 HRH3 (0.40) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL15938511 0.83 BTK (0.44) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL3657235 0.83 CHRNB2 (0.38) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL15614036 0.83 BTK (0.44) HRH3MAPK1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4211116-B1 NOVEL HETEROCYCLIC ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2024-08-07 — — EP disclosed
US-20240139158-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS INC (US) 2024-05-02 — — US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 — — US disclosed
EP-3237411-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2023-06-07 — — EP disclosed
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS INC (US) 2022-06-09 — — US disclosed
CN-107207487-B Compounds, compositions and methods for increasing CFTR activity 蛋白质平衡治疗股份有限公司 2021-12-28 — — CN disclosed
US-20200190072-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2020-06-18 — — US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 — — US disclosed
CN-110709402-A Heteroaryl pyrimidone derivatives, preparation method and medical application thereof 浙江海正药业股份有限公司 2020-01-17 — — CN disclosed
US-10392372-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-20170369480-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-12-28 — — US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 — — US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 — — WO disclosed
US-20150031659-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-01-29 — — US disclosed
US-20150031659-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-01-29 — — US disclosed
CN-102014914-A 3H-[1,2,3]triazolo[4,5-D]pyrimidine compounds, their use as MTOR kinase and PI3 kinase inhibitors, and their syntheses WYETH CORP 2011-04-13 — — CN disclosed
EP-2252296-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2010-11-24 — — EP disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 — — US disclosed
WO-2009091788-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-23 — — WO disclosed
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-16 — — 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 (11 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 HRH3 3390/4885MAPK1 1931/4885CHRM2 4766/4885
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 HRH3 450/4885MAPK1 2737/4885CHRM2 1376/4885
US-20240139158-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 HRH3 378/4885MAPK1 4841/4885CHRM2 27/4885
US-20150031659-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS BTD, BLVRB, BBOX1 HRH3 2214/4885MAPK1 3848/4885CHRM2 4209/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 HRH3 4514/4885MAPK1 562/4885CHRM2 4686/4885
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD HRH3 1593/4885MAPK1 80/4885CHRM2 4877/4885
US-20170369480-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, SCNN1B, SCNN1G HRH3 2818/4885MAPK1 4625/4885CHRM2 2346/4885
US-10392372-B2 Compounds, compositions, and methods for increasing CFTR activity CFTR, SCNN1B, SCNN1G HRH3 2818/4885MAPK1 4625/4885CHRM2 2346/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 HRH3 117/4885MAPK1 1118/4885CHRM2 2015/4885
US-20200190072-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, SCNN1B, SCNN1G HRH3 2818/4885MAPK1 4625/4885CHRM2 2346/4885
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 HRH3 378/4885MAPK1 4841/4885CHRM2 27/4885

“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.

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