SCHEMBL21710239

SCHEMBL21710239

CN1CCCc2ncccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
DRD1 P21728 8/20 0.43
DRD5 P21918 7/20 0.43
DRD2 P14416 7/20 0.40
DRD4 P21917 6/20 0.40
DRD3 P35462 6/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39

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
SCHEMBL29391680 0.89 MAOA (0.57) MAOAMAOBDRD1DRD5DRD2
SCHEMBL6127935 0.89 MAOA (0.57) MAOAMAOBDRD1DRD5DRD2
SCHEMBL171403 0.81 MAOA (0.43) MAOAMAOBDRD1DRD2DRD3
SCHEMBL23396762 0.79 GRIN2D (0.36) DRD2DRD4DRD3OPRK1GRIN2D
SCHEMBL29391241 0.79 MAOA (0.57) MAOAMAOBDRD1DRD5DRD2
SCHEMBL8475722 0.79 MAOA (0.57) MAOAMAOBDRD1DRD5DRD2
SCHEMBL20159084 0.78 MAOA (0.50) MAOAMAOBDRD1DRD5DRD2
SCHEMBL1950767 0.75 MAOA (0.75) MAOAMAOBDRD1DRD5DRD2
SCHEMBL21182046 0.73 MAPT (0.58) DRD2DRD4DRD3
SCHEMBL149347 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 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 (1 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-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 MAOA 2723/4885MAOB 2720/4885DRD1 4828/4885

“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.