SCHEMBL22491380

SCHEMBL22491380

O=C1COc2ccc(C(=O)N3CCC(c4cc(-c5ccc(Cl)cc5)[nH]n4)CC3)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.52
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NR3C2 P08235 12/20 0.45
NR3C1 P04150 5/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
NAMPT P43490 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL29734551 1.00 MGLL (0.52) MGLLALDH1A1KDM4ENR3C2NR3C1
SCHEMBL21061734 0.77 MGLL (0.62) MGLLALDH1A1KDM4ENR3C2NR3C1
SCHEMBL30541705 0.77 MGLL (0.62) MGLLALDH1A1KDM4ENR3C2NR3C1
SCHEMBL531974 0.76 PARP1 (0.62) MGLLALDH1A1NR3C2LMNAGAA
SCHEMBL22491519 0.76 MGLL (0.51) MGLLALDH1A1KDM4ENR3C2NR3C1
SCHEMBL29734572 0.76 MGLL (0.51) MGLLALDH1A1KDM4ENR3C2NR3C1
SCHEMBL20135328 0.76 ADAMTS5 (0.41) MGLLMEN1KMT2AMAPT
SCHEMBL20135329 0.76 ADAMTS5 (0.41) MGLLMEN1KMT2AMAPT
SCHEMBL22491361 0.75 MGLL (0.51) MGLLALDH1A1NR3C2NR3C1LMNA
SCHEMBL22491589 0.75 MGLL (0.51) MGLLALDH1A1NR3C2NR3C1LMNA

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 7 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
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP 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 MGLL 1532/4885ALDH1A1 231/4885KDM4E 1597/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885ALDH1A1 231/4885KDM4E 1597/4885

“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.