SCHEMBL20126291

SCHEMBL20126291

CCCCc1ccc(COc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.41
ACHE P22303 6/20 0.38
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAOA P21397 4/20 0.35
PRKX P51817 1/20 0.35
IKBKE Q14164 1/20 0.35
HTR2A P28223 2/20 0.34

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
SCHEMBL20126294 0.86 MAOB (0.40) MAOBS1PR1S1PR5FFAR1FFAR4
SCHEMBL20126366 0.83 SKP2 (0.37) HTR2A
SCHEMBL20126272 0.76 MAOB (0.35) MAOBFFAR1HTR2A
SCHEMBL20126169 0.75 NPC1 (0.37) MAOBFFAR4HTR2A
SCHEMBL20126286 0.73 HRH3 (0.47)
SCHEMBL20126351 0.72 RARB (0.36)
SCHEMBL20126289 0.68 S1PR1 (0.39) S1PR1HTR2A
SCHEMBL20126240 0.68 OPRL1 (0.34)
SCHEMBL20126268 0.68 MAOB (0.45) MAOB
SCHEMBL12740847 0.67 FFAR4 (0.41) MAOBS1PR1FFAR1FFAR4MAOA

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 553/4885ACHE 4407/4885S1PR1 583/4885

“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.