SCHEMBL4934556

SCHEMBL4934556

CC(C)(C)N(C[C@H]1CCc2ccccc2O1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
HTR1A P08908 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SSTR4 P31391 1/20 0.41
DRD2 P14416 6/20 0.39
DRD4 P21917 6/20 0.39
DRD3 P35462 6/20 0.39
HTR1D P28221 1/20 0.39
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38

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
SCHEMBL6480724 0.83 DRD1 (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL9535672 0.77 CA2 (0.48) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL5776171 0.77 HTR1A (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4932570 0.76 L3MBTL1 (0.37) DRD2DRD4DRD3
SCHEMBL14112792 0.76 CA2 (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL27499177 0.76 CA2 (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8880016 0.76 CA2 (0.50) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL407496 0.75 CA2 (0.54) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL15211143 0.75 CA2 (0.54) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL16428909 0.75 CA2 (0.54) CA2HTR1ASIGMAR1ADRA2AADRA2B

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-20080039639-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-02-14 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-20080039639-A1 Chromane and chromene derivatives and uses thereof HTR1A, CHRM1, HTR2C CA2 2360/4885HTR1A 1/4885SIGMAR1 104/4885

“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.