SCHEMBL6896626

SCHEMBL6896626

CCCC(C)OC(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
FAAH O00519 5/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.35
NFKB1 P19838 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGS1 P23219 1/20 0.35
APEX1 P27695 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL6896321 0.89 FAAH (0.46) TSHRFAAHALDH1A1TDP1CYP3A4
SCHEMBL18856264 0.86 FAAH (0.40) TSHRFAAHALDH1A1TDP1CYP3A4
SCHEMBL18856318 0.85 FAAH (0.55) FAAHALDH1A1LMNAKMT2ACNR1
SCHEMBL18856288 0.85 MAPT (0.40) TSHRFAAHALDH1A1TDP1CYP3A4
SCHEMBL4439992 0.83 TSHR (0.42) TSHRALDH1A1TDP1CYP3A4NFKB1
SCHEMBL1218297 0.83 TSHR (0.42) TSHRALDH1A1TDP1CYP3A4NFKB1
SCHEMBL2990189 0.83 TSHR (0.42) TSHRALDH1A1TDP1CYP3A4NFKB1
SCHEMBL5511961 0.83 ALDH1A1 (0.50) TSHRFAAHALDH1A1TDP1CYP3A4
SCHEMBL13133072 0.83 TSHR (0.45) TSHRALDH1A1TDP1CYP3A4NFKB1
SCHEMBL33485 0.83 FAAH (0.40) TSHRFAAHALDH1A1TDP1CYP3A4

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 43 patents — showing the first 20. 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-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-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-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-9650341-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-05-16 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs 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-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
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 (11 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 TSHR 4488/4885FAAH 3072/4885ALDH1A1 113/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L TSHR 4488/4885FAAH 3072/4885ALDH1A1 113/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885FAAH 565/4885ALDH1A1 599/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885FAAH 565/4885ALDH1A1 599/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885FAAH 203/4885ALDH1A1 1082/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B TSHR 520/4885FAAH 193/4885ALDH1A1 432/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB TSHR 1502/4885FAAH 210/4885ALDH1A1 307/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885FAAH 565/4885ALDH1A1 599/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B TSHR 3059/4885FAAH 164/4885ALDH1A1 760/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 TSHR 3738/4885FAAH 203/4885ALDH1A1 1082/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885FAAH 565/4885ALDH1A1 599/4885

“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.