SCHEMBL507140

SCHEMBL507140

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
ACHE P22303 1/20 0.53
POLB P06746 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 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
SCHEMBL21470081 0.87 GSK3B (0.57) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL31274029 0.85 GSK3B (0.55) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL17148448 0.84 KMT2A (0.52) ALDH1A1KMT2AMAPTLMNARAB9A
SCHEMBL11832775 0.83 GSK3B (0.53) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL30340784 0.83 GSK3B (0.53) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL14289820 0.83 GSK3B (0.53) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL6781250 0.83 HSD17B3 (0.55) ALDH1A1NPC1RAB9APOLBKDM4E
SCHEMBL11900206 0.83 TDP1 (0.53) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL8775647 0.82 ALDH1A1 (0.58) GSK3BALDH1A1KMT2AMAPTLMNA
SCHEMBL5797936 0.81 TDP1 (0.51) ALDH1A1KMT2AMAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds AFASCI, INC. (US) 2023-09-05 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
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 US disclosed
US-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-17 US disclosed
US-9901572-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-9856246-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2018-01-02 US disclosed
US-9770026-B2 Substituted pyrimidine compound and uses thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-09-26 US disclosed
US-20170216263-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-03 US disclosed
US-20080280903-A1 Apoptosis Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-11-13 US disclosed
US-20080280903-A1 Apoptosis Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-11-13 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO 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

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-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds TRPV1, TRPA1, TRPV2 GSK3B 3852/4885ALDH1A1 3199/4885KMT2A 3305/4885
US-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 GSK3B 2605/4885ALDH1A1 284/4885KMT2A 155/4885
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 GSK3B 21/4885ALDH1A1 4014/4885KMT2A 3643/4885
US-20080280903-A1 Apoptosis Inhibitors BAD, MCL1, AIFM1 GSK3B 584/4885ALDH1A1 2244/4885KMT2A 4027/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO GSK3B 4241/4885ALDH1A1 130/4885KMT2A 1237/4885
US-20170216263-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 GSK3B 2605/4885ALDH1A1 284/4885KMT2A 155/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A GSK3B 3471/4885ALDH1A1 397/4885KMT2A 1221/4885
US-20220193080-A1 ALLOSTERIC AGONISTS AND POSITIVE ALLOSTERIC MODULATORS OF GLUCAGON-LIKE PEPTIDE 1 RECEPTOR GLP1R, GPR119, GIPR GSK3B 1379/4885ALDH1A1 4778/4885KMT2A 2312/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC GSK3B 4405/4885ALDH1A1 149/4885KMT2A 1610/4885

“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.