SCHEMBL6897112

SCHEMBL6897112

CC(C)C(C)OC(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
RAB9A P51151 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8471165 1.00 CHRNB2 (0.39) CHRNB2CHRNA4RAB9ACHRM2CHRM4
SCHEMBL16964943 0.89 CHRNB2 (0.41) CHRNB2CHRNA4RAB9ACHRM2CHRM4
SCHEMBL6897293 0.84 CHRNB2 (0.39) CHRNB2CHRNA4RAB9ACHRM2CHRM4
SCHEMBL16965415 0.83 CHRNB2 (0.35) CHRNB2CHRNA4RAB9ACHRM2CHRM4
SCHEMBL18924870 0.80
SCHEMBL16965089 0.79 CHRNB2 (0.39) CHRNB2CHRNA4RAB9ACHRM2CHRM4
SCHEMBL6244866 0.78
SCHEMBL222173 0.77 TSHR (0.38) TSHR
SCHEMBL10837828 0.77 TSHR (0.31) TSHR
SCHEMBL9728219 0.77 BCHE (0.31) TSHR

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 67 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
EP-2445502-B2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES PHARMA IRELAND LTD (IE) 2022-09-28 EP disclosed
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPUETICS INCORPORATED 2022-03-03 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-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 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-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-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-10-13 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-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

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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 CHRNB2 3204/4885CHRNA4 1789/4885RAB9A 1537/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CHRNB2 4679/4885CHRNA4 3994/4885RAB9A 1430/4885
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CYP2C19, CYP2D6, CYP2C8 CHRNB2 3356/4885CHRNA4 3693/4885RAB9A 611/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 CHRNB2 4679/4885CHRNA4 3994/4885RAB9A 1430/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CHRNB2 293/4885CHRNA4 342/4885RAB9A 800/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CHRNB2 569/4885CHRNA4 233/4885RAB9A 853/4885
US-20110275803-A1 PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS COASY, DHPS, OXA1L CHRNB2 4663/4885CHRNA4 4548/4885RAB9A 2306/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CHRNB2 749/4885CHRNA4 253/4885RAB9A 2568/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 CHRNB2 2904/4885CHRNA4 2527/4885RAB9A 2441/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CHRNB2 4679/4885CHRNA4 3994/4885RAB9A 1430/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 CHRNB2 4679/4885CHRNA4 3994/4885RAB9A 1430/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CHRNB2 569/4885CHRNA4 233/4885RAB9A 853/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CHRNB2 569/4885CHRNA4 233/4885RAB9A 853/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CHRNB2 569/4885CHRNA4 233/4885RAB9A 853/4885
US-20110251379-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS CLN6, NLN, ACHE CHRNB2 102/4885CHRNA4 173/4885RAB9A 1981/4885

“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.