SCHEMBL6893955

SCHEMBL6893955

CC(C)CN(CC(C)C)C(=O)OC(C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
MLYCD O95822 2/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.30
FPR1 P21462 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL24654595 0.90 CA12 (0.41) CA12CA1CA2CA9MLYCD
SCHEMBL6894039 0.87 CA12 (0.45) CA12CA1CA2CA9MLYCD
SCHEMBL12588890 0.82 CA1 (0.48) CA12CA1CA2CA9MLYCD
SCHEMBL12515019 0.81 MMP1 (0.38) CA12CA1CA2CA9MMP1
SCHEMBL6893830 0.80 KMT2A (0.42) MMP1MMP2MMP3ALDH1A1MEN1
SCHEMBL306031 0.79 CA12 (0.50) CA12CA1CA2CA9MLYCD
SCHEMBL24654548 0.79 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL18388356 0.77 CA12 (0.43) CA12CA1CA2CA9MLYCD
SCHEMBL10087788 0.77 CA12 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL11599452 0.77 CHRNB2 (0.36)

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 72 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
EP-4124616-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS Alkermes Pharma Ireland Limited (IE) 2023-02-01 EP disclosed
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2022-12-06 US disclosed
EP-2445502-B2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES PHARMA IRELAND LTD (IE) 2022-09-28 EP disclosed
EP-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 EP 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-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 US 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-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 (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-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CA12 3134/4885CA1 2576/4885CA2 4436/4885
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 CA12 1209/4885CA1 762/4885CA2 258/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B CA12 4259/4885CA1 3007/4885CA2 4238/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 CA12 271/4885CA1 377/4885CA2 205/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CA12 1853/4885CA1 1430/4885CA2 3182/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CA12 3134/4885CA1 2576/4885CA2 4436/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L CA12 1815/4885CA1 2042/4885CA2 3942/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CA12 3229/4885CA1 1741/4885CA2 3676/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 CA12 1916/4885CA1 1581/4885CA2 2668/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CA12 271/4885CA1 377/4885CA2 205/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 CA12 271/4885CA1 377/4885CA2 205/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CA12 3134/4885CA1 2576/4885CA2 4436/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CA12 3134/4885CA1 2576/4885CA2 4436/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CA12 3134/4885CA1 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.