SCHEMBL10201181

SCHEMBL10201181

CC(C)(C)OC(=O)N1CC=C(C(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.51
GRM5 P41594 11/20 0.50
GRM1 Q13255 11/20 0.48
NAMPT P43490 1/20 0.47
ESR2 Q92731 1/20 0.47
NR1H2 P55055 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 1/20 0.44
ADORA1 P30542 1/20 0.43

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
SCHEMBL17886606 0.85 PDK4 (0.38) PDK4GRM5GRM1NAMPTUSP2
SCHEMBL26064534 0.85 ESR2 (0.44) PDK4GRM5GRM1NAMPTESR2
SCHEMBL8218881 0.83 PDK4 (0.51) PDK4GRM5GRM1NAMPTESR2
SCHEMBL12320441 0.83 PDK4 (0.51) PDK4GRM5GRM1NAMPTESR2
SCHEMBL12069963 0.82 PDK4 (0.50) PDK4GRM5GRM1NAMPTESR2
SCHEMBL13177723 0.82 ADORA1 (0.51) PDK4GRM5GRM1NAMPTESR2
SCHEMBL17886544 0.82 ALDH1A1 (0.42) SMN1; SMN2
SCHEMBL16936975 0.82 PDK4 (0.50) PDK4GRM5GRM1NAMPTESR2
SCHEMBL14301396 0.82 PDK4 (0.50) PDK4GRM5GRM1NAMPTESR2
SCHEMBL14028045 0.82 PDK4 (0.50) PDK4GRM5GRM1NAMPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2021-10-21 US disclosed
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORTION 2021-06-24 US disclosed
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE HOLDINGS CORPORATION (US) 2021-02-16 US disclosed
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-12-17 US disclosed
US-20200131195-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2020-04-30 US disclosed
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 US disclosed
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 US disclosed
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-9227985-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2016-01-05 US disclosed
US-20140275030-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8815902-B2 Tetrahydroquinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-06-05 US disclosed
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-11 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 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 (15 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-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC PDK4 558/4885GRM5 4287/4885GRM1 3221/4885
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing PLIN1, PCK2, PLIN3 PDK4 21/4885GRM5 2820/4885GRM1 2176/4885
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI PDK4 37/4885GRM5 3253/4885GRM1 2966/4885
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC PDK4 478/4885GRM5 3899/4885GRM1 2064/4885
US-20140275030-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 PDK4 2742/4885GRM5 3784/4885GRM1 3673/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA PDK4 170/4885GRM5 2124/4885GRM1 1701/4885
US-20200131195-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 PDK4 3009/4885GRM5 3789/4885GRM1 3588/4885
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 PDK4 3009/4885GRM5 3789/4885GRM1 3588/4885
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 PDK4 3885/4885GRM5 45/4885GRM1 22/4885
US-20210323916-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 PDK4 545/4885GRM5 750/4885GRM1 989/4885
US-20200392081-A1 NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF CYP19A1, ESR1, ESR2 PDK4 545/4885GRM5 750/4885GRM1 989/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC PDK4 478/4885GRM5 3899/4885GRM1 2064/4885
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC5, HDAC1, HDAC2 PDK4 1230/4885GRM5 825/4885GRM1 2621/4885
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 PDK4 3009/4885GRM5 3789/4885GRM1 3588/4885
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 PDK4 3009/4885GRM5 3789/4885GRM1 3588/4885

“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.