SCHEMBL6892838

SCHEMBL6892838

CC/C=C\CC(=O)OC(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
TSHR P16473 2/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
FFAR1 O14842 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
GRIK1 P39086 2/20 0.30
GRIK2 Q13002 2/20 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
SCHEMBL6894385 0.94 ADORA3 (0.40) CTSKNR1I2PGRADORA3PTGS2
SCHEMBL12414870 0.85 CTSK (0.37) CTSKTSHRALDH1A1MAPT
SCHEMBL6892443 0.84 ALDH1A1 (0.34) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL28034421 0.83 LMNA (0.44) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL18203058 0.83 LMNA (0.44) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL22267773 0.81 NR1I2 (0.31) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12116842 0.81 ALDH1A1 (0.44) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6896864 0.81 ALDH1A1 (0.44) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL6892448 0.79 ALDH1A1 (0.43) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL18203064 0.78 ADORA3 (0.42) NR1I2PGRADORA3PTGS2PDE4D

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 US disclosed
US-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-11-03 US disclosed
US-20150376143-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LTD (IE) 2015-12-31 US disclosed
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders MORGAN STANLEY SENIOR FUNDING, INC. 2015-10-01 US disclosed
US-9102618-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-11 US disclosed
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LTD (IE) 2014-11-27 US disclosed
US-20140221653-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-07 US disclosed
US-8796276-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-05 US disclosed
US-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 US disclosed
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LIMITED 2013-04-18 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 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 (16 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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CTSK 4290/4885NR1I2 277/4885PGR 2502/4885
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CTSK 4290/4885NR1I2 277/4885PGR 2502/4885
US-20150376143-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CTSK 1006/4885NR1I2 2503/4885PGR 4286/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885NR1I2 277/4885PGR 2502/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CTSK 4290/4885NR1I2 277/4885PGR 2502/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CTSK 1006/4885NR1I2 2503/4885PGR 4286/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 CTSK 1006/4885NR1I2 2503/4885PGR 4286/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CTSK 4290/4885NR1I2 277/4885PGR 2502/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CTSK 2095/4885NR1I2 593/4885PGR 1841/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885NR1I2 277/4885PGR 2502/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CTSK 3161/4885NR1I2 241/4885PGR 986/4885
US-20140221653-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CTSK 1006/4885NR1I2 2503/4885PGR 4286/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CTSK 1006/4885NR1I2 2503/4885PGR 4286/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 CTSK 1006/4885NR1I2 2503/4885PGR 4286/4885
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CTSK 4290/4885NR1I2 277/4885PGR 2502/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885NR1I2 277/4885PGR 2502/4885

“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.