SCHEMBL21244084

SCHEMBL21244084

CCCN(C(=O)Cc1cccs1)C1CCc2c(O)cccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.67
DRD3 P35462 9/20 0.67
DRD4 P21917 4/20 0.67
HTR1A P08908 2/20 0.67
DRD1 P21728 2/20 0.67
ADRA2A P08913 1/20 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
CNR1 P21554 1/20 0.67
ACHE P22303 1/20 0.67
SLC6A2 P23975 1/20 0.67
HTR2A P28223 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
PTGS2 P35354 1/20 0.67
HRH1 P35367 1/20 0.67
OPRM1 P35372 1/20 0.67
OPRD1 P41143 1/20 0.67

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
SCHEMBL21244085 1.00 DRD2 (0.67) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7704484 0.87 DRD2 (0.68) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL21244081 0.87 DRD2 (0.68) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL2024065 0.82 DRD2 (0.59) DRD2DRD3DRD4CHRM1
SCHEMBL2025141 0.82 DRD2 (0.59) DRD2DRD3DRD4CHRM1
SCHEMBL2024495 0.82 DRD2 (0.59) DRD2DRD3DRD4CHRM1
SCHEMBL7435894 0.82 HTR1D (0.60) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL9886171 0.81 DRD2 (0.86) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL1887820 0.81 DRD2 (0.86) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7788808 0.81 DRD2 (0.70) DRD2DRD3DRD4HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611749-B2 Process for preparation of Rotigotine and intermediates thereof SOLARA ACTIVE PHARMA SCIENCES LIMITED (IN) 2020-04-07 US claimed
US-20190248758-A1 Novel Process for Preparation of Rotigotine and Intermediates Thereof SOLARA ACTIVE PHARMA SCIENCES LIMITED (IN) 2019-08-15 US claimed
US-10611749-B2 Process for preparation of Rotigotine and intermediates thereof SOLARA ACTIVE PHARMA SCIENCES LIMITED (IN) 2020-04-07 US disclosed
US-20190248758-A1 Novel Process for Preparation of Rotigotine and Intermediates Thereof SOLARA ACTIVE PHARMA SCIENCES LIMITED (IN) 2019-08-15 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 (2 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-20190248758-A1 Novel Process for Preparation of Rotigotine and Intermediates Thereof OAT, CYP11B1, MAOB DRD2 217/4885DRD3 401/4885DRD4 129/4885
US-10611749-B2 Process for preparation of Rotigotine and intermediates thereof OAT, CYP11B1, SRM DRD2 375/4885DRD3 566/4885DRD4 161/4885

“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.