SCHEMBL24656018

SCHEMBL24656018

COc1cnc(C)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.33
PDK2 Q15119 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
DHFR P00374 1/20 0.32
CYP1A1 P04798 2/20 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
SCHEMBL15483098 0.82 CYP11B1 (0.43) CA1CA2ALDH1A1PDK2MEN1
Ammonia Solution, Strong SCHEMBL29243738 0.81 CYP11B1 (0.42) CA1CA2ALDH1A1HPGDPDK2
SCHEMBL22949457 0.80 CA1 (0.53) CA1CA2ALDH1A1GAAHPGD
SCHEMBL24922437 0.80 CA1 (0.48) CA1CA2ALDH1A1GAAHPGD
SCHEMBL21719145 0.78 CA1 (0.47) CA1CA2ALDH1A1GAAHPGD
SCHEMBL20843988 0.78 CA1 (0.47) CA1CA2ALDH1A1GAAHPGD
SCHEMBL7940187 0.74 ALDH1A1 (0.39) ALDH1A1CYP3A4CCR1CCR5CCR8
SCHEMBL16080758 0.74 SMN1; SMN2 (0.44) CA1CA2ALDH1A1ALOX15CCR1
SCHEMBL17877840 0.73 CA1 (0.41) CA1CA2ALDH1A1HPGDPDK2
SCHEMBL10993021 0.72 CA12 (0.43) CA1CA2ALDH1A1GAAHPGD

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 3 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
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 CA1 4396/4885CA2 4029/4885ALDH1A1 312/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA1 4396/4885CA2 4029/4885ALDH1A1 312/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA1 4396/4885CA2 4029/4885ALDH1A1 312/4885

“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.