SCHEMBL22491393

SCHEMBL22491393

O=C1COc2ccc(C(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
MAPT P10636 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR3C2 P08235 4/20 0.46
DRD4 P21917 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL29734647 1.00 MGLL (0.51) MGLLMAPTRXFP1KMT2AALDH1A1
SCHEMBL22491557 0.88 RXFP1 (0.53) MGLLMAPTRXFP1KMT2AALDH1A1
SCHEMBL22491427 0.83 ALDH1A1 (0.54) MGLLMAPTRXFP1KMT2AALDH1A1
SCHEMBL22773332 0.80 ALDH1A1 (0.46) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL30541698 0.80 NR3C2 (0.54) MGLLMAPTKMT2AALDH1A1MEN1
SCHEMBL21086327 0.80 NR3C2 (0.54) MGLLMAPTKMT2AALDH1A1MEN1
SCHEMBL22491411 0.77 CYP2C9 (0.59) MGLLMAPTRXFP1ALDH1A1CYP2C9
SCHEMBL4465124 0.76 CNR1 (0.59) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL22491413 0.76 LMNA (0.68) MGLLMAPTKMT2AALDH1A1CYP2C9
SCHEMBL22491510 0.76 LMNA (0.51) MGLLMAPTKMT2AALDH1A1CYP2C9

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 1532/4885MAPT 3857/4885RXFP1 2526/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885MAPT 3857/4885RXFP1 2526/4885

“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.