SCHEMBL23696626

SCHEMBL23696626

Cc1nc2n(c(=O)c1CCCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.92
HTR2A P28223 8/20 0.92
KCNH2 Q12809 4/20 0.92
HTR2C P28335 3/20 0.92
ADRA1A P35348 3/20 0.92
HRH1 P35367 3/20 0.92
DRD3 P35462 3/20 0.92
ACHE P22303 3/20 0.92
ADRA2A P08913 2/20 0.92
ADRA2B P18089 2/20 0.92
ADRA2C P18825 2/20 0.92
DRD1 P21728 2/20 0.92
DRD4 P21917 2/20 0.92
DRD5 P21918 2/20 0.92
HTR1D P28221 2/20 0.92
HTR1B P28222 2/20 0.92
HTR7 P34969 2/20 0.92
SCN5A Q14524 2/20 0.92
SLC6A4 P31645 2/20 0.92
HTR1A P08908 2/20 0.92

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
Risperidone SCHEMBL5070793 0.96 DRD2 (1.00) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL27911 0.96 DRD2 (1.00) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL29392548 0.96 DRD2 (1.00) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL16965766 0.96 DRD2 (1.00) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL28382198 0.95 DRD2 (0.98) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL5777424 0.95 DRD2 (0.98) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL20578557 0.95 DRD2 (0.98) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL5774262 0.95 DRD2 (0.98) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL3623879 0.92 HTR2A (0.92) DRD2HTR2AKCNH2HTR2CADRA1A
Risperidone SCHEMBL29051431 0.92 DRD2 (0.92) DRD2HTR2AKCNH2HTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667666-B2 Methods and compositions for treatment of cancer CFD RESEARCH CORPORATION (US) 2023-06-06 US disclosed
US-11667666-B2 Methods and compositions for treatment of cancer CFD RESEARCH CORPORATION (US) 2023-06-06 US disclosed
US-20210230212-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER CFD RESEARCH CORPORATION 2021-07-29 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 (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-11667666-B2 Methods and compositions for treatment of cancer TEK, VHL, TIE1 DRD2 4729/4885HTR2A 2990/4885KCNH2 4843/4885
US-20210230212-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER TEK, VHL, TIE1 DRD2 4729/4885HTR2A 2990/4885KCNH2 4843/4885

“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.