SCHEMBL29324752

SCHEMBL29324752

Cc1cnc2c(c1)c(C(C)(C)C)nn2C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
SPR P35270 3/20 0.35
POLB P06746 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP1A2 P05177 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL28619610 0.81 HSD17B10 (0.40) GSK3BSPRPOLBHCRTR1HCRTR2
SCHEMBL25527223 0.81 GSK3B (0.38) GSK3BSPRPOLBHCRTR1HCRTR2
SCHEMBL18538040 0.81 HPGD (0.40) GSK3BSPRPOLBHCRTR1HCRTR2
SCHEMBL18538049 0.79 ALDH1A1 (0.42) GSK3BPOLBCYP1A2
SCHEMBL4409862 0.78 SPR (0.50) GSK3BSPRPOLB
SCHEMBL25091063 0.77 HCRTR1 (0.38) GSK3BHCRTR1HCRTR2CYP1A2ATM
SCHEMBL31457149 0.76 ATM (0.53) SPRATM
SCHEMBL31457170 0.76 ATM (0.44) POLBATM
SCHEMBL12031687 0.75 GSK3B (0.59) GSK3BSPRPOLB
SCHEMBL29582154 0.74 PI4KA (0.36) GSK3BHCRTR1HCRTR2

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-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 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 (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-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP GSK3B 581/4885SPR 3510/4885POLB 492/4885

“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.