SCHEMBL25533085

SCHEMBL25533085

CC(C)(C)c1cn(C2CC2)nc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.35
KCNH2 Q12809 1/20 0.35
LRRK2 Q5S007 3/20 0.34
DGAT1 O75907 1/20 0.34
IDH1 O75874 1/20 0.31
TLR8 Q9NR97 2/20 0.30
CRBN Q96SW2 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL21849260 0.79
SCHEMBL21893425 0.79 MPO (0.36) MPOKCNH2LRRK2DGAT1TLR8
SCHEMBL21848993 0.77 HCRTR1 (0.37) LRRK2
SCHEMBL25018461 0.75 LRRK2 (0.36) LRRK2
SCHEMBL18049627 0.75 MPO (0.39) MPOKCNH2LRRK2DGAT1IRAK4
SCHEMBL17173659 0.73 DRD2 (0.30)
SCHEMBL21205528 0.72 DGAT1 (0.41) MPOKCNH2LRRK2DGAT1TLR8
SCHEMBL25018462 0.72 LRRK2 (0.37) LRRK2
SCHEMBL802249 0.72 GAA (0.39) LRRK2IDH1
SCHEMBL12984693 0.71 MPO (0.40) MPOKCNH2DGAT1

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-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 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 (2 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-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP MPO 538/4885KCNH2 2603/4885LRRK2 493/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP MPO 538/4885KCNH2 2603/4885LRRK2 493/4885

“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.