SCHEMBL6895066

SCHEMBL6895066

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.50
CA1 P00915 4/20 0.44
CA2 P00918 3/20 0.41
FAAH O00519 1/20 0.38
FDPS P14324 1/20 0.38
ABCB1 P08183 1/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL12930096 0.94 CA1 (0.52) CTSKCA1FAAHFDPSABCB1
SCHEMBL6899590 0.89 CTSK (0.42) CTSKCA1CA2FAAHABCB1
SCHEMBL6894086 0.88 CTSK (0.41) CTSKCA1CA2FAAHFDPS
SCHEMBL6894922 0.84 CA1 (0.44) CTSKCA1CA2FAAHFDPS
SCHEMBL12961299 0.84 CA1 (0.46) CTSKCA1CA2FAAHFDPS
SCHEMBL6900329 0.83 LMNA (0.48) CTSKCA1CA2FAAHFDPS
SCHEMBL5052855 0.83 CTSK (0.38) CTSKCA1CA2FAAHFDPS
SCHEMBL7217823 0.80 CA2 (0.46) CA1CA2FAAHFDPSLMNA
SCHEMBL1739770 0.79 CA1 (0.50) CA1CA2FDPSCYP3A4TSHR
SCHEMBL6892472 0.79 CTSK (0.36) CTSKCYP3A4

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 51 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-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-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 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-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-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
WO-2011140183-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS ALKERMES, INC. (US) 2011-11-10 WO 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-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-20110166194-A1 Asenapine Prodrugs 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-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 CTSK 4290/4885CA1 2576/4885CA2 4436/4885
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 CTSK 4468/4885CA1 762/4885CA2 258/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CTSK 4290/4885CA1 2576/4885CA2 4436/4885
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885CA1 2576/4885CA2 4436/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CTSK 4290/4885CA1 2576/4885CA2 4436/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 CTSK 1006/4885CA1 377/4885CA2 205/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B CTSK 3756/4885CA1 3007/4885CA2 4238/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CTSK 2095/4885CA1 1430/4885CA2 3182/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885CA1 2576/4885CA2 4436/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L CTSK 2222/4885CA1 2042/4885CA2 3942/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CTSK 3161/4885CA1 1741/4885CA2 3676/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CTSK 1006/4885CA1 377/4885CA2 205/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 CTSK 1006/4885CA1 377/4885CA2 205/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CTSK 4290/4885CA1 2576/4885CA2 4436/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CTSK 4290/4885CA1 2576/4885CA2 4436/4885

“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.