SCHEMBL20908872

SCHEMBL20908872

CN1CCC(C2=CC=CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.38
PLG P00747 1/20 0.36
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33
HTR1F P30939 3/20 0.33
LSS P48449 1/20 0.33
HTR2A P28223 1/20 0.32
NCF1 P14598 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
THPO P40225 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL13262405 0.82 QDPR (0.35) QDPRPLGLSS
SCHEMBL16393757 0.82
SCHEMBL19993188 0.78 MAPK14 (0.33) QDPRPLG
SCHEMBL1539714 0.78
SCHEMBL28329693 0.78
SCHEMBL28693358 0.76
SCHEMBL27988022 0.76
SCHEMBL1052803 0.76 NOS3 (0.31)
SCHEMBL27987685 0.76
SCHEMBL3168555 0.75 QDPR (0.32) QDPRPLG

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-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-04-18 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-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 QDPR 426/4885PLG 4819/4885HTR1D 406/4885

“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.