SCHEMBL20126199

SCHEMBL20126199

CCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)NC(C)(C)C4)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GAA P10253 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HCRTR2 O43614 1/20 0.31
IDH1 O75874 1/20 0.31
ESR2 Q92731 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL20126156 0.83
SCHEMBL20128398 0.81 GPR119 (0.35) GAAGPR119HCRTR2ESR2MCHR1
SCHEMBL20126321 0.80 GAA (0.36) TLR9TLR8TLR7GAAIDH1
SCHEMBL16749046 0.76 KDM1A (0.42) GAAESR2
SCHEMBL20126105 0.75 CYP2C9 (0.52) GAAESR2
SCHEMBL20126323 0.74 DRD2 (0.35) GPR119HCRTR2ESR2MCHR1
SCHEMBL20126208 0.74 DRD2 (0.45) GAAMCHR1
SCHEMBL18931539 0.74 ESR2 (0.32) ESR2
SCHEMBL14618754 0.73 MEN1 (0.40) GPR119ESR2
SCHEMBL20126223 0.72

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
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 TLR9 1230/4885TLR8 1995/4885TLR7 834/4885

“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.