SCHEMBL507049

SCHEMBL507049

Cc1ccc(C(=O)CC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
MAPT P10636 2/20 0.58
GSK3B P49841 1/20 0.57
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49

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
SCHEMBL8604333 0.83 HSD17B3 (0.55) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL5458729 0.83 TSHR (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL20181746 0.82 NPC1 (0.53) NPC1RAB9AMAPTGSK3BKMT2A
SCHEMBL12243016 0.81 RAB9A (0.61) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL11989218 0.81 NPC1 (0.55) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL10452926 0.81 GSK3B (0.57) NPC1RAB9AMAPTGSK3BKMT2A
SCHEMBL14041429 0.81 LMNA (0.46) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL10453790 0.81 HAO1 (0.46) NPC1RAB9AMAPTGSK3BKMT2A
SCHEMBL10021822 0.81 TPMT (0.46) NPC1RAB9AMAPTGSK3B
SCHEMBL20202561 0.81 GSK3B (0.55) NPC1RAB9AMAPTGSK3BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-20230159488-A1 APPLICATION OF HETEROCYCLIC COMPOUND CONTAINING AT LEAST TWO SULFUR ATOMS IN PREPARING NANO-VACCINE AND PREPARED NANO-VACCINE Suzhou WEAST Biotechnology Co., Ltd. (CN) 2023-05-25 US disclosed
US-20220193080-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR UNIVERSITY OF THE SCIENCES (US) 2022-06-23 US disclosed
EP-3702355-B1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2022-01-12 EP disclosed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-20210188786-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STINGINN LLC (US) 2021-06-24 US disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-05-18 US disclosed
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2021-01-21 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-7510822-B2 Stimulation sensitive composition and compound FUJIFILM CORPORATION (JP) 2009-03-31 US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-20030224288-A1 Stimulation sensitive composition and compound FUJI PHOTO FILM CO., LTD. 2003-12-04 US disclosed
EP-1353225-A2 Radiation sensitive composition and compound FUJI PHOTO FILM CO., LTD. (JP) 2003-10-15 EP 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 (10 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-20230159488-A1 APPLICATION OF HETEROCYCLIC COMPOUND CONTAINING AT LEAST TWO SULFUR ATOMS IN PREPARING NANO-VACCINE AND PREPARED NANO-VACCINE CD4, NFATC1, CTSA NPC1 708/4885RAB9A 1146/4885MAPT 2239/4885
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 NPC1 2664/4885RAB9A 3673/4885MAPT 4341/4885
US-20210188786-A1 SUBSTITUTED 1,2,4-TRIAZOLES AND METHODS OF USE STING1, IRF3, CGAS NPC1 3034/4885RAB9A 3711/4885MAPT 4824/4885
US-20210015100-A1 SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF GART, BROX, APRT NPC1 2993/4885RAB9A 516/4885MAPT 665/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 NPC1 810/4885RAB9A 1387/4885MAPT 16/4885
US-11008339-B2 Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof APRT, GART, PNP NPC1 2933/4885RAB9A 1021/4885MAPT 1009/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 NPC1 1166/4885RAB9A 951/4885MAPT 2864/4885
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B NPC1 2295/4885RAB9A 1528/4885MAPT 3144/4885
US-20220193080-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR GLP1R, GPR119, GIPR NPC1 3403/4885RAB9A 1811/4885MAPT 3368/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 NPC1 1374/4885RAB9A 3833/4885MAPT 2/4885

“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.