SCHEMBL6894115

SCHEMBL6894115

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
CTSK P43235 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM1 Q13255 1/20 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
SCHEMBL12514347 0.89 ELANE (0.37) ELANECYP4F2CYP4A11LMNAHSD17B10
SCHEMBL6894107 0.89 CTSK (0.41) ELANECTSKCYP4F2CYP4A11LMNA
SCHEMBL6892559 0.87 CYP4F2 (0.42) ELANECTSKCYP4F2CYP4A11LMNA
SCHEMBL10087765 0.85 CYP4F2 (0.45) ELANECTSKCYP4F2CYP4A11LMNA
SCHEMBL10087764 0.85 CYP4F2 (0.45) ELANECTSKCYP4F2CYP4A11LMNA
SCHEMBL10087766 0.85 CYP4F2 (0.45) ELANECTSKCYP4F2CYP4A11LMNA
SCHEMBL3829696 0.84 ELANE (0.41) ELANECYP4F2CYP4A11LMNAHSD17B10
SCHEMBL6892271 0.84 ELANE (0.41) ELANECYP4F2CYP4A11LMNAHSD17B10
SCHEMBL111939 0.83 CTSK (0.34) CTSK
SCHEMBL10087895 0.83 ELANE (0.43) ELANECTSKCYP4F2CYP4A11LMNA

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 54 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-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-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-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 US disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-12 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease 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-20110166194-A1 Asenapine Prodrugs 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-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 (15 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-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ELANE 4084/4885CTSK 4290/4885CYP4F2 503/4885
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 ELANE 824/4885CTSK 4468/4885CYP4F2 2146/4885
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ELANE 4084/4885CTSK 4290/4885CYP4F2 503/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ELANE 4084/4885CTSK 4290/4885CYP4F2 503/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 ELANE 130/4885CTSK 1006/4885CYP4F2 2245/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B ELANE 4114/4885CTSK 3756/4885CYP4F2 2028/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB ELANE 2598/4885CTSK 2095/4885CYP4F2 173/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ELANE 4084/4885CTSK 4290/4885CYP4F2 503/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B ELANE 4772/4885CTSK 3161/4885CYP4F2 125/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 ELANE 130/4885CTSK 1006/4885CYP4F2 2245/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 ELANE 130/4885CTSK 1006/4885CYP4F2 2245/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ELANE 4084/4885CTSK 4290/4885CYP4F2 503/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ELANE 4084/4885CTSK 4290/4885CYP4F2 503/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE ELANE 4084/4885CTSK 4290/4885CYP4F2 503/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ELANE 4084/4885CTSK 4290/4885CYP4F2 503/4885

“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.