SCHEMBL18446002

SCHEMBL18446002

O=C(O)N1C2CCC1CN(Cc1ccc(F)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.51
CCR1 P32246 3/20 0.49
HTT P42858 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
FAAH O00519 1/20 0.46
HTR2A P28223 1/20 0.45

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
SCHEMBL17512633 0.86 S1PR5 (0.54) S1PR5SIGMAR1
SCHEMBL5175290 0.86 S1PR5 (0.54) S1PR5SIGMAR1
SCHEMBL7094627 0.85 CCR1 (0.47) S1PR5CCR1SIGMAR1HTR2A
SCHEMBL6995970 0.85 CCR1 (0.47) S1PR5CCR1SIGMAR1HTR2A
SCHEMBL5241550 0.83 CCR1 (0.53) S1PR5CCR1SIGMAR1HTR2A
SCHEMBL7671194 0.81 HTT (0.49) HTT
SCHEMBL6994339 0.80 CCR1 (0.48) S1PR5CCR1
SCHEMBL18418205 0.80 KCNK3 (0.48) S1PR5CCR1
SCHEMBL992857 0.78 S1PR5 (0.76) S1PR5HTT
SCHEMBL18422811 0.75 MGLL (0.46) S1PR5CCR1FAAH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428034-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2019-10-01 US disclosed
EP-3328849-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS Pfizer Inc. (US) 2018-06-06 EP disclosed
WO-2017021805-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2017-02-09 WO 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-10428034-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors MAG, PYM1, HIF1AN S1PR5 3056/4885CCR1 1363/4885HTT 250/4885

“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.