SCHEMBL20128398

SCHEMBL20128398

CCOC1CCC(C2CCC(c3ccc(C4CC(C)(C)N(O)C(C)(C)C4)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.35
MCHR1 Q99705 1/20 0.33
HCRTR2 O43614 10/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
ESR2 Q92731 2/20 0.32
DRD2 P14416 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
SCHEMBL20128532 0.87 GAA (0.31) MCHR1GAAHTTESR2
SCHEMBL20128918 0.81 ESR2 (0.36) MCHR1GAAHTTESR2DRD2
SCHEMBL20129351 0.81 MAPT (0.40) GAADRD2
SCHEMBL20126199 0.81 TLR9 (0.33) GPR119MCHR1HCRTR2GAAESR2
SCHEMBL20126323 0.81 DRD2 (0.35) GPR119MCHR1HCRTR2ESR2DRD2
SCHEMBL20126223 0.78
SCHEMBL20126322 0.77 MCHR1 (0.38) GPR119MCHR1DRD2
SCHEMBL20128878 0.76 CYP2C9 (0.54) ESR2DRD2
SCHEMBL20126174 0.74 DRD2 (0.40) MCHR1DRD2
SCHEMBL20129423 0.73 CYP2C9 (0.44) GAAESR2

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 GPR119 3774/4885MCHR1 1562/4885HCRTR2 279/4885

“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.