SCHEMBL21937589

SCHEMBL21937589

CC(C)OC1CC(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
SIGMAR1 Q99720 3/20 0.39
SLC6A4 P31645 2/20 0.39
HTR2C P28335 2/20 0.39
OPRM1 P35372 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 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
SCHEMBL20009112 0.87 FFAR4 (0.56) FFAR4SIGMAR1SLC6A4HTR2COPRM1
SCHEMBL21937593 0.82 FFAR4 (0.45) FFAR4SIGMAR1OPRM1CHRM2ADRA2A
SCHEMBL16838802 0.77 SLC6A4 (0.41) SIGMAR1SLC6A4HTR2CADRA2ASLC6A2
SCHEMBL16838803 0.77 SLC6A4 (0.41) SIGMAR1SLC6A4HTR2CADRA2ASLC6A2
SCHEMBL21321770 0.77 SLC6A4 (0.41) SIGMAR1SLC6A4HTR2CADRA2ASLC6A2
SCHEMBL30457857 0.73 LMNA (0.44) HTR2CCHRM2CHRM4CHRM5CHRM1
SCHEMBL11661537 0.72 SLC18A3 (0.52) SIGMAR1HTR2CADRA2ASLC6A2ADRA1A
SCHEMBL2766491 0.72 SLC18A3 (0.52) SIGMAR1HTR2CADRA2ASLC6A2ADRA1A
SCHEMBL21937605 0.72 DRD2 (0.41) SLC6A4DRD2DRD1DRD3HCRTR2
SCHEMBL12559939 0.72 GBA1 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL FFAR4 574/4885SIGMAR1 435/4885SLC6A4 1226/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL FFAR4 574/4885SIGMAR1 435/4885SLC6A4 1226/4885

“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.