SCHEMBL1044545

SCHEMBL1044545

CCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.56
HTR2A P28223 11/20 0.56
HTR1A P08908 10/20 0.56
DRD4 P21917 3/20 0.56
DRD3 P35462 3/20 0.56
DRD1 P21728 2/20 0.56
DRD5 P21918 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
MEN1 O00255 1/20 0.56
MLNR O43193 1/20 0.56
HTR3B O95264 1/20 0.56
ABCB11 O95342 1/20 0.56
ESR1 P03372 1/20 0.56
PGR P06401 1/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
ABCB1 P08183 1/20 0.56
ADRB1 P08588 1/20 0.56

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
Aripiprazole Lauroxil SCHEMBL29429588 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
Aripiprazole Lauroxil SCHEMBL29429589 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL17132404 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
Aripiprazole Lauroxil SCHEMBL1044330 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL17132405 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL17132407 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL1045566 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL1044003 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL1044327 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3
Aripiprazole Lauroxil SCHEMBL29429590 1.00 DRD2 (0.56) DRD2HTR2AHTR1ADRD4DRD3

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214940-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2025-07-03 US disclosed
EP-3309151-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES PHARMA IRELAND LTD (IE) 2025-03-19 EP disclosed
US-12180164-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2024-12-31 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-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-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
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-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS Alkermes, Inc. (US) 2012-05-02 EP disclosed
EP-2445343-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS Alkermes, Inc. (US) 2012-05-02 EP 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-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
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
WO-2010151689-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2010-12-29 WO disclosed
WO-2010151711-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. (US) 2010-12-29 WO 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 (6 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-20250214940-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE DRD2 183/4885HTR2A 217/4885HTR1A 171/4885
US-12180164-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE DRD2 183/4885HTR2A 217/4885HTR1A 171/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE DRD2 183/4885HTR2A 217/4885HTR1A 171/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 DRD2 4366/4885HTR2A 3348/4885HTR1A 3867/4885
US-11518745-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE DRD2 183/4885HTR2A 217/4885HTR1A 171/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE DRD2 183/4885HTR2A 217/4885HTR1A 171/4885

“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.