SCHEMBL6900302

SCHEMBL6900302

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.39
FAAH O00519 1/20 0.36
FDPS P14324 1/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL6896966 0.89 KDM4E (0.38) LMNACYP3A4CYP2C19ALDH1A1
SCHEMBL15800111 0.86 CA1 (0.48) CA1CA2FDPSLMNACYP3A4
SCHEMBL1722216 0.86 CA1 (0.48) CA1CA2FDPSLMNACYP3A4
Hydrochloric Acid SCHEMBL29047451 0.84 CA1 (0.47) CA1CA2FDPSLMNACYP3A4
Ammonia Solution, Strong SCHEMBL28118106 0.84 CA1 (0.47) CA1CA2FDPSLMNACYP3A4
SCHEMBL6895347 0.82 ABCB1 (0.47) CA1CA2FAAHFDPSLMNA
SCHEMBL6900329 0.80 LMNA (0.48) CA1CA2FAAHFDPSLMNA
SCHEMBL16298859 0.80 CA1 (0.57) CA1FAAHFDPSACE2
SCHEMBL5138404 0.80 CA1 (0.57) CA1FAAHFDPSACE2
SCHEMBL6896971 0.80 ALDH1A1 (0.39) LMNACYP3A4TSHRTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 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-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-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 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-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders ALKERMES PHARMA IRELAND LTD (IE) 2014-11-27 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-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-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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L CA1 2042/4885CA2 3942/4885FAAH 3072/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L CA1 2042/4885CA2 3942/4885FAAH 3072/4885
US-20130096089-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CA1 2576/4885CA2 4436/4885FAAH 565/4885
US-20140051852-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L CA1 2042/4885CA2 3942/4885FAAH 3072/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CA1 2576/4885CA2 4436/4885FAAH 565/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CA1 2576/4885CA2 4436/4885FAAH 565/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CA1 377/4885CA2 205/4885FAAH 203/4885
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CA1 2576/4885CA2 4436/4885FAAH 565/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CA1 2576/4885CA2 4436/4885FAAH 565/4885
US-20140350254-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CA1 2576/4885CA2 4436/4885FAAH 565/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CA1 1741/4885CA2 3676/4885FAAH 164/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CA1 377/4885CA2 205/4885FAAH 203/4885
US-20150274670-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE CA1 2576/4885CA2 4436/4885FAAH 565/4885

“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.