SCHEMBL6899799

SCHEMBL6899799

CCCCC(C)(C)OC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SOAT1 P35610 1/20 0.43
ATM Q13315 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33

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
SCHEMBL10087920 0.94 MEN1 (0.47) ALDH1A1SOAT1ATMMEN1MAPT
SCHEMBL27847980 0.92 MEN1 (0.50) ALDH1A1SOAT1ATMMEN1MAPT
SCHEMBL10087931 0.88 ALDH1A1 (0.50) ALDH1A1SOAT1ATMMEN1MAPT
SCHEMBL608105 0.87 CA1 (0.38) ALDH1A1ATMMEN1MAPTKMT2A
SCHEMBL19018677 0.86 ALDH1A1 (0.38) ALDH1A1ATMMEN1MAPTKMT2A
SCHEMBL17034204 0.83 SOAT1 (0.36) ALDH1A1SOAT1ATMMEN1MAPT
SCHEMBL6896408 0.82 CA1 (0.37) ALDH1A1ATMMEN1MAPTKMT2A
SCHEMBL15160842 0.82 CA2 (0.47) ALDH1A1ATMMEN1MAPTKMT2A
SCHEMBL8761300 0.82 CA1 (0.34) ALDH1A1ATMMEN1MAPTKMT2A
SCHEMBL608717 0.81 CES2 (0.41) ATMMEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2022-12-06 US disclosed
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-12-31 US disclosed
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 US disclosed
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-03-21 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 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-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 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-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-02-20 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-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-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS ALKERMES, INC. (US) 2011-11-10 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders 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-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 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 (14 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ALDH1A1 113/4885SOAT1 602/4885ATM 3476/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L ALDH1A1 113/4885SOAT1 602/4885ATM 3476/4885
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885SOAT1 2055/4885ATM 1735/4885
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L ALDH1A1 113/4885SOAT1 602/4885ATM 3476/4885
US-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885SOAT1 2055/4885ATM 1735/4885
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885SOAT1 2055/4885ATM 1735/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885SOAT1 2055/4885ATM 1735/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 ALDH1A1 1082/4885SOAT1 2112/4885ATM 4859/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885SOAT1 2055/4885ATM 1735/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L ALDH1A1 113/4885SOAT1 602/4885ATM 3476/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ALDH1A1 760/4885SOAT1 3672/4885ATM 2637/4885
US-20140221653-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 ALDH1A1 1082/4885SOAT1 2112/4885ATM 4859/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ALDH1A1 599/4885SOAT1 2055/4885ATM 1735/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885SOAT1 2055/4885ATM 1735/4885

“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.