SCHEMBL20126322

SCHEMBL20126322

CCCOC1CCC(c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.38
DRD2 P14416 3/20 0.37
GPR119 Q8TDV5 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CYP2C9 P11712 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33

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
SCHEMBL20126200 0.89 MCHR1 (0.37) MCHR1DRD2TLR8TLR7CYP2C9
SCHEMBL20126325 0.84 GPR119 (0.34) MCHR1DRD2GPR119TLR8TLR7
SCHEMBL20126298 0.83 MCHR1 (0.34) MCHR1DRD2
SCHEMBL20126257 0.83 MCHR1 (0.33) MCHR1GPR119
SCHEMBL20126175 0.79 MCHR1 (0.32) MCHR1
SCHEMBL6023343 0.78 CYP2C9 (0.51) DRD2CYP2C9
SCHEMBL6023340 0.78 CYP2C9 (0.51) DRD2CYP2C9
SCHEMBL14618753 0.77 MEN1 (0.37) DRD2GPR119CYP2C9
SCHEMBL20128398 0.77 GPR119 (0.35) MCHR1DRD2GPR119
SCHEMBL12001925 0.76 ESR2 (0.53) CYP2C9

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 MCHR1 1562/4885DRD2 3/4885GPR119 3774/4885

“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.