SCHEMBL20126323

SCHEMBL20126323

CCOC1CCC(c2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
GPR119 Q8TDV5 3/20 0.34
MCHR1 Q99705 1/20 0.32
HCRTR2 O43614 8/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
ESR2 Q92731 1/20 0.30
HSD11B1 P28845 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CNR2 P34972 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
SCHEMBL20126243 0.85 ACACB (0.37)
SCHEMBL20126326 0.85 HCRTR2 (0.36) GPR119HCRTR2
SCHEMBL20126202 0.83 NPC1 (0.32) ESR2
SCHEMBL20126262 0.82 KDM1A (0.33) DRD2
SCHEMBL20126341 0.82 CYP2C9 (0.48) DRD2ESR2
SCHEMBL20128398 0.81 GPR119 (0.35) DRD2GPR119MCHR1HCRTR2ESR2
SCHEMBL20126300 0.80 HCRTR2 (0.31) GPR119MCHR1HCRTR2
SCHEMBL20126223 0.77
SCHEMBL20126322 0.76 MCHR1 (0.38) DRD2GPR119MCHR1CARM1PRMT6
SCHEMBL20126333 0.76 NQO1 (0.39)

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

“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.