SCHEMBL20503582

SCHEMBL20503582

CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2-c2nnco2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.46
ABHD6 Q9BV23 7/20 0.46
GPR119 Q8TDV5 3/20 0.46
CYP2D6 P10635 1/20 0.46
PLA2G7 Q13093 3/20 0.45
ENPP2 Q13822 1/20 0.45
P2RY14 Q15391 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL20503563 0.86 FAAH (0.42) MGLLABHD6CYP2D6PLA2G7
SCHEMBL20567175 0.81 GPR119 (0.46) GPR119P2RY14
SCHEMBL20503491 0.81 GPR119 (0.47) MGLLABHD6GPR119CYP2D6PLA2G7
SCHEMBL20503739 0.81 MGLL (0.46) MGLLABHD6GPR119CYP2D6PLA2G7
SCHEMBL31483872 0.80 MGLL (0.49) MGLLABHD6GPR119CYP2D6PLA2G7
SCHEMBL20567724 0.80 MGLL (0.49) MGLLABHD6GPR119CYP2D6PLA2G7
SCHEMBL19974295 0.79 MGLL (0.53) MGLLABHD6CYP2D6PLA2G7ENPP2
SCHEMBL20503441 0.79 MGLL (0.54) MGLLABHD6CYP2D6PLA2G7ENPP2
SCHEMBL17092682 0.79 MGLL (0.54) MGLLABHD6CYP2D6PLA2G7ENPP2
SCHEMBL25487263 0.78 GPR119 (0.46) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601769-B Pyrazole compounds and methods of making and using the same H.隆德贝克有限公司 2021-09-03 CN disclosed
EP-3377060-B1 PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-08-19 EP disclosed
EP-3377060-B1 PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-08-19 EP disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
EP-3377060-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-09-26 EP 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-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 MGLL 21/4885ABHD6 1/4885GPR119 2518/4885

“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.