SCHEMBL22491576

SCHEMBL22491576

O=C1COc2ccc(C(=O)N3CCC(c4cn(Cc5cccc(Cl)c5)c5ccccc45)CC3)cc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
MGLL Q99685 1/20 0.47
HRH2 P25021 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
PARP1 P09874 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42
NR3C2 P08235 7/20 0.42
NR3C1 P04150 3/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29734608 1.00 SLC2A1 (0.49) SLC2A1MGLLHRH2HTR2AHTR2C
SCHEMBL22491561 0.82 NR3C2 (0.50) MGLLLMNAALDH1A1NR3C2NR3C1
SCHEMBL22491368 0.80 MGLL (0.49) MGLLLMNAALDH1A1NR3C2NR3C1
SCHEMBL29734501 0.80 MGLL (0.49) MGLLLMNAALDH1A1NR3C2NR3C1
SCHEMBL22491431 0.79 MGLL (0.49) MGLLLMNAALDH1A1NR3C2NR3C1
SCHEMBL29734518 0.79 MGLL (0.49) MGLLLMNAALDH1A1NR3C2NR3C1
SCHEMBL29734527 0.78 MGLL (0.49) MGLLLMNAALDH1A1NR3C2NR3C1
SCHEMBL22797699 0.78 MGLL (0.49) MGLLLMNAALDH1A1NR3C2NR3C1
SCHEMBL22491556 0.76 MGLL (0.51) MGLLPARP1LMNAALDH1A1NR3C2
SCHEMBL29734587 0.76 MGLL (0.51) MGLLPARP1LMNAALDH1A1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US claimed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP claimed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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 (2 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY SLC2A1 4807/4885MGLL 1532/4885HRH2 889/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY SLC2A1 4807/4885MGLL 1532/4885HRH2 889/4885

“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.