SCHEMBL6898192

SCHEMBL6898192

CC/C=C\CCC(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
PTGS2 P35354 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.46
CYP19A1 P11511 2/20 0.46
RXRA P19793 2/20 0.46
PPARG P37231 2/20 0.46
OXER1 Q8TDS5 2/20 0.46
FFAR1 O14842 1/20 0.46
DGKA P23743 1/20 0.43
FAAH O00519 2/20 0.41
PRKCE Q02156 1/20 0.41

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
SCHEMBL6896718 1.00 ADORA3 (0.50) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL6895644 0.89 ADORA3 (0.65) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL12437840 0.86 ALDH1A1 (0.67) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL6898815 0.86 ALDH1A1 (0.67) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL12116643 0.86 ALDH1A1 (0.67) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL8706499 0.85 ADORA3 (0.53) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL8706504 0.85 ADORA3 (0.53) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL16675426 0.84 ADORA3 (0.73) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL18125928 0.84 ALDH1A1 (0.56) ADORA3NR1I2PGRPTGS2PDE4D
SCHEMBL10587234 0.83 TSHR (0.41) ALDH1A1TSHRTDP1MAPTDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 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-20160024012-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-28 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-9126936-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-09-08 US disclosed
US-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-9102618-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-11 US disclosed
US-20140221653-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-07 US disclosed
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-20 US disclosed
US-8536328-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2013-09-17 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-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 US disclosed
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS ALKERMES, INC. (US) 2011-11-10 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 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-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 (13 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 ADORA3 3086/4885NR1I2 277/4885PGR 2502/4885
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ADORA3 4497/4885NR1I2 742/4885PGR 4309/4885
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ADORA3 4497/4885NR1I2 742/4885PGR 4309/4885
US-20160024012-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ADORA3 4497/4885NR1I2 742/4885PGR 4309/4885
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 ADORA3 31/4885NR1I2 2032/4885PGR 2472/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ADORA3 3086/4885NR1I2 277/4885PGR 2502/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ADORA3 1839/4885NR1I2 593/4885PGR 1841/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L ADORA3 4497/4885NR1I2 742/4885PGR 4309/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ADORA3 890/4885NR1I2 241/4885PGR 986/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 ADORA3 338/4885NR1I2 392/4885PGR 374/4885
US-20140221653-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 ADORA3 1660/4885NR1I2 2503/4885PGR 4286/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 ADORA3 1660/4885NR1I2 2503/4885PGR 4286/4885
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ADORA3 3086/4885NR1I2 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.