SCHEMBL24656136

SCHEMBL24656136

COc1ccn2ncc(C(C)(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.43
SCN5A Q14524 1/20 0.42
HTR2A P28223 3/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
PIK3CA P42336 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TGFBR2 P37173 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
GAA P10253 1/20 0.33
GRM2 Q14416 1/20 0.33
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
NCOA1 Q15788 2/20 0.32
NCOA3 Q9Y6Q9 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL21849289 0.78 EPHB3 (0.40) EPHB3SCN5APIK3CACA2ALDH1A1
SCHEMBL18352906 0.78 SCN5A (0.38) SCN5AALDH1A1TDP1HPGD
SCHEMBL23938061 0.78 EPHB3 (0.46) EPHB3SCN5AHTR2AHTR2CHTR2B
SCHEMBL20731024 0.77 EPHB3 (0.45) EPHB3HTR2AHTR2CHTR2BPIK3CA
SCHEMBL31383575 0.77 EPHB3 (0.45) EPHB3HTR2AHTR2CHTR2BPIK3CA
SCHEMBL29491179 0.77 SCN5A (0.38) SCN5APIK3CA
SCHEMBL21849008 0.75 BMP4 (0.37) SCN5ACA1CA2TGFBR2ALDH1A1
SCHEMBL26661950 0.75 HTR2C (0.44) EPHB3HTR2AHTR2CHTR2BPIK3CA
SCHEMBL18353078 0.74 SCN5A (0.36) SCN5A
SCHEMBL17031849 0.73 CA1 (0.41) HTR2AHTR2CHTR2BCA1CA2

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 5 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-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 EPHB3 3524/4885SCN5A 1883/4885HTR2A 183/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP EPHB3 3524/4885SCN5A 1883/4885HTR2A 183/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP EPHB3 3524/4885SCN5A 1883/4885HTR2A 183/4885

“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.