SCHEMBL17055963

SCHEMBL17055963

NCCCNCCc1ccc(O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 5/20 0.67
▸ DRD3 P35462 5/20 0.67
▸ ADRB2 P07550 5/20 0.67
▸ SLC6A2 P23975 3/20 0.67
▸ SLC6A3 Q01959 3/20 0.67
▸ ADRA1A P35348 2/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67
▸ CHRM1 P11229 1/20 0.67
▸ ADRA2B P18089 1/20 0.67
▸ ADRA2C P18825 1/20 0.67
▸ SLC6A4 P31645 1/20 0.67
▸ PTGS2 P35354 1/20 0.67
▸ HRH1 P35367 1/20 0.67
▸ OPRK1 P41145 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ KCNH2 Q12809 1/20 0.67
▸ HRH3 Q9Y5N1 1/20 0.67
▸ MAPT P10636 6/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ ALOX15 P16050 5/20 0.61

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
SCHEMBL38652366 0.95 DRD1 (0.69) DRD1DRD3ADRB2SLC6A2SLC6A3
SCHEMBL7272756 0.93 DRD1 (0.72) DRD1DRD3ADRB2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL28524068 0.93 DRD1 (0.68) DRD1DRD3ADRB2SLC6A2SLC6A3
SCHEMBL28615035 0.93 DRD1 (0.72) DRD1DRD3ADRB2SLC6A2SLC6A3
SCHEMBL30350890 0.93 DRD1 (0.72) DRD1DRD3ADRB2SLC6A2SLC6A3
SCHEMBL13068844 0.93 DRD1 (0.66) DRD1DRD3ADRB2SLC6A2SLC6A3
Bromide SCHEMBL7280018 0.92 DRD1 (0.70) DRD1DRD3ADRB2SLC6A2SLC6A3
SCHEMBL11811440 0.87 ADRB2 (0.73) DRD1DRD3ADRB2SLC6A2SLC6A3
SCHEMBL11806768 0.87 DRD1 (0.71) DRD1DRD3ADRB2SLC6A2SLC6A3
SCHEMBL30088530 0.87 DRD1 (0.71) DRD1DRD3ADRB2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135525-A1 Carbondisulfide Derived Zwitterions DALY THOMAS (US) 2022-05-05 — — US disclosed
US-10975027-B2 Carbondisulfide derived zwitterions DALY THOMAS (US) 2021-04-13 — — US disclosed
US-20200331853-A1 Carbondisulfide Derived Zwitterions DALY THOMAS (US) 2020-10-22 — — US disclosed
US-10696628-B2 Carbondisulfide derived zwitterions TPAT IP LLC (US) 2020-06-30 — — US disclosed
US-20190233372-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2019-08-01 — — US disclosed
US-10259783-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2019-04-16 — — US disclosed
US-20170275248-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-09-28 — — US disclosed
US-9676709-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-06-13 — — US disclosed
US-20170129853-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2017-05-11 — — US disclosed
US-9580385-B2 Carbondisulfide derived zwitterions TPAT IP LLC 2017-02-28 — — US disclosed
US-20150329486-A1 Carbondisulfide Derived Zwitterions TPAT IP LLC 2015-11-19 — — US disclosed
US-20150246879-A1 Carbondisulfide Derived Zwitterions DALY THOMAS P (US) 2015-09-03 — — 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 (10 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-20170129853-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-20170275248-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-20150329486-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-10259783-B2 Carbondisulfide derived zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-20220135525-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-20200331853-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-10696628-B2 Carbondisulfide derived zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-20150246879-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-10975027-B2 Carbondisulfide derived zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885
US-20190233372-A1 Carbondisulfide Derived Zwitterions SRM, PKD1, SLC7A11 DRD1 76/4885DRD3 141/4885ADRB2 1589/4885

“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.

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