SCHEMBL20128665

SCHEMBL20128665

COC1CCC(CCc2ccc(C3CC(C)(C)N(O)C(C)(C)C3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
BACE1 P56817 5/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 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
SCHEMBL20128906 0.84 GAA (0.33)
SCHEMBL20128612 0.80 GAA (0.31)
SCHEMBL12823152 0.78 DAO (0.36) DAO
SCHEMBL12821137 0.78 DAO (0.36) DAO
SCHEMBL14767015 0.76 DAO (0.34) DAODRD2HTR2ADRD3
SCHEMBL13586441 0.76 DAO (0.37) DAODRD2HTR2ADRD3
SCHEMBL12718315 0.76 DAO (0.34) DAODRD2HTR2ADRD3
SCHEMBL12717009 0.76 DAO (0.34) DAODRD2HTR2ADRD3
SCHEMBL13586456 0.76 DAO (0.37) DAODRD2HTR2ADRD3
SCHEMBL12822990 0.74 OPRL1 (0.36) DAO

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 DAO 473/4885BACE1 1611/4885DRD2 3/4885

“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.