SCHEMBL826019

SCHEMBL826019

CCCCCCCC(=O)Oc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.62
DRD2 P14416 16/20 0.58
HTR2A P28223 10/20 0.58
HTR1A P08908 9/20 0.58
KCNH2 Q12809 2/20 0.53

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
SCHEMBL826012 0.99 DRD3 (0.63) DRD3DRD2HTR2AHTR1AKCNH2
SCHEMBL826225 0.94 DRD3 (0.65) DRD3DRD2HTR2AHTR1AKCNH2
SCHEMBL1055026 0.92 DRD3 (0.60) DRD3DRD2HTR2AHTR1AKCNH2
SCHEMBL1056737 0.92 DRD3 (0.60) DRD3DRD2HTR2AHTR1AKCNH2
SCHEMBL12930984 0.92 DRD3 (0.60) DRD3DRD2HTR2AHTR1AKCNH2
SCHEMBL12930983 0.92 DRD3 (0.61) DRD3DRD2HTR2AHTR1A
SCHEMBL9979373 0.91 DRD3 (0.62) DRD3DRD2HTR2AHTR1AKCNH2
SCHEMBL12073725 0.90 DRD3 (0.61) DRD3DRD2HTR2AHTR1AKCNH2
SCHEMBL18597149 0.89 DRD3 (0.62) DRD3DRD2HTR2AHTR1A
SCHEMBL12930982 0.89 DRD3 (0.62) DRD3DRD2HTR2AHTR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 US disclosed
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 US disclosed
US-9585965-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-07 US disclosed
US-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2015-11-12 US disclosed
US-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2015-11-12 US disclosed
US-9072788-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2015-07-07 US disclosed
US-9072788-B2 Prodrugs of NH-acidic compounds: ester, carbonate, carbamate and phosphonate derivatives ALKERMES PHARMA IRELAND LIMITED (IE) 2015-07-07 US disclosed
WO-2011163594-A2 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 WO disclosed
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 US disclosed
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES ALKERMES, INC. (US) 2011-12-29 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 (3 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-20150320875-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 DRD3 4499/4885DRD2 4503/4885HTR2A 3774/4885
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 DRD3 4499/4885DRD2 4503/4885HTR2A 3774/4885
US-20110319422-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES PHPT1, SI, CA6 DRD3 4499/4885DRD2 4503/4885HTR2A 3774/4885

“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.