SCHEMBL20126294

SCHEMBL20126294

C=CCCc1ccc(COc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.40
S1PR1 P21453 2/20 0.35
S1PR5 Q9H228 2/20 0.35
FFAR1 O14842 8/20 0.34
MAOA P21397 5/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PRKX P51817 1/20 0.34
IKBKE Q14164 1/20 0.34
HTR2A P28223 1/20 0.32
DRD4 P21917 1/20 0.31
ADRA1D P25100 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
SCHEMBL20126291 0.86 MAOB (0.41) MAOBS1PR1S1PR5FFAR1MAOA
SCHEMBL20126353 0.77 NPSR1 (0.34)
SCHEMBL20126370 0.76 CHKA (0.35)
SCHEMBL20126272 0.72 MAOB (0.35) MAOBFFAR1HTR2A
SCHEMBL18540234 0.71 FFAR1 (0.39) MAOBS1PR1S1PR5FFAR1MAOA
SCHEMBL18540224 0.71 MAOB (0.41) MAOBFFAR1MAOAFFAR4
SCHEMBL20126366 0.70 SKP2 (0.37) HTR2A
SCHEMBL20126367 0.68
SCHEMBL18540156 0.67 FFAR1 (0.40) S1PR1FFAR1FFAR4
SCHEMBL20126268 0.66 MAOB (0.45) MAOB

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 MAOB 553/4885S1PR1 583/4885S1PR5 894/4885

“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.