SCHEMBL29533296

SCHEMBL29533296

Cc1ccc(-c2cnn(CC(C)(C)C)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
PDK2 Q15119 3/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALOX5AP P20292 4/20 0.38
PIM1 P11309 2/20 0.38
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
LRRK2 Q5S007 1/20 0.36
GRM2 Q14416 1/20 0.36
FEN1 P39748 1/20 0.35
FADS1 O60427 1/20 0.35

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
SCHEMBL12858928 0.74 CYP11B1 (0.57) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL13127863 0.73 AR (0.39) PDK2
SCHEMBL16554646 0.72 DYRK1A (0.50) PDK2PIM1LRRK2
SCHEMBL16554797 0.72 FYN (0.42) PDK2
SCHEMBL9887864 0.71 CYP3A4 (0.50) CYP3A4PDK2
SCHEMBL15379161 0.70 PDK2 (0.42) CYP3A4PDK2ALOX5APLRRK2FEN1
SCHEMBL22530216 0.70 KCNH2 (0.54) PDK2ALOX5AP
SCHEMBL30574243 0.70 ALOX5AP (0.42) ALOX5APPIM1HCRTR1HCRTR2LRRK2
SCHEMBL15782893 0.69 FFAR1 (0.51) PDK2ALOX5APPIM1LRRK2FEN1
SCHEMBL17051514 0.68 CCR1 (0.75) CCR1CCR5CCR8HDAC6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-05-05 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-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LIPC, PNLIP CCR1 3400/4885CCR5 4498/4885CCR8 4551/4885

“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.