SCHEMBL6894286

SCHEMBL6894286

CC(C)C(C)OC(=O)C(C)(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
KCNN4 O15554 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ELANE P08246 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38

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
SCHEMBL17011233 1.00 MAPT (0.48) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL6895220 0.86 MAPT (0.48) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL6898376 0.85 MAPT (0.52) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL28044958 0.84 MAPT (0.50) MAPTKMT2ACYP1A2CYP2D6KCNN4
Hydrochloric Acid SCHEMBL28209912 0.84 KMT2A (0.50) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL18856348 0.83 MAPT (0.53) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL18388288 0.80 MAPT (0.43) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL18856285 0.79 NPSR1 (0.47) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL11625075 0.78 KMT2A (0.44) MAPTKMT2ACYP1A2CYP2D6KCNN4
SCHEMBL26246077 0.77 NPSR1 (0.45) MAPTKMT2ACYP1A2CYP2D6KCNN4

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 76 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-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-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-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-20200407320-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE MAPT 165/4885KMT2A 1652/4885CYP1A2 132/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B MAPT 1129/4885KMT2A 1802/4885CYP1A2 243/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 MAPT 2880/4885KMT2A 1192/4885CYP1A2 994/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB MAPT 349/4885KMT2A 2733/4885CYP1A2 54/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE MAPT 165/4885KMT2A 1652/4885CYP1A2 132/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B MAPT 363/4885KMT2A 119/4885CYP1A2 30/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 MAPT 2880/4885KMT2A 1192/4885CYP1A2 994/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 MAPT 2880/4885KMT2A 1192/4885CYP1A2 994/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE MAPT 165/4885KMT2A 1652/4885CYP1A2 132/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE MAPT 165/4885KMT2A 1652/4885CYP1A2 132/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE MAPT 165/4885KMT2A 1652/4885CYP1A2 132/4885

“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.