SCHEMBL24656152

SCHEMBL24656152

COc1cc(-n2cncn2)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
MAOB P27338 1/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP1B1 Q16678 1/20 0.35
GPBAR1 Q8TDU6 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
SCHEMBL31565008 0.85 SMN1; SMN2 (0.42) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL29891238 0.81 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL15315525 0.80 SMN1; SMN2 (0.38) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL21893497 0.80 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL25532531 0.79 GPBAR1 (0.34) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL14092963 0.78 AR (0.43) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL12767801 0.78 KDM4E (0.37) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL2356727 0.78 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL30038775 0.78 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL12245359 0.76 CYP2A6 (0.49) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1

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 4 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-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
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (3 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885CYP2C19 596/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885CYP2C19 596/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885CYP2C19 596/4885

“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.