SCHEMBL22491373

SCHEMBL22491373

Cn1cc(C2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c2ccc(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.55
NR3C2 P08235 17/20 0.51
NR3C1 P04150 10/20 0.51
PGR P06401 3/20 0.51
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
LMNA P02545 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
SCHEMBL29734391 0.93 MGLL (0.55) MGLLNR3C2NR3C1PGRDRD2
SCHEMBL22491410 0.93 MGLL (0.55) MGLLNR3C2NR3C1PGRDRD2
SCHEMBL22491368 0.90 MGLL (0.49) MGLLNR3C2NR3C1LMNA
SCHEMBL29734501 0.90 MGLL (0.49) MGLLNR3C2NR3C1LMNA
SCHEMBL22491561 0.89 NR3C2 (0.50) MGLLNR3C2NR3C1LMNA
SCHEMBL29734624 0.88 MGLL (0.46) MGLLNR3C2NR3C1DRD2LMNA
SCHEMBL22773219 0.88 MGLL (0.46) MGLLNR3C2NR3C1DRD2LMNA
SCHEMBL29734531 0.88 MGLL (0.53) MGLLNR3C2NR3C1PGRLMNA
SCHEMBL22491453 0.88 MGLL (0.53) MGLLNR3C2NR3C1PGRLMNA
SCHEMBL22797699 0.85 MGLL (0.49) MGLLNR3C2NR3C1LMNA

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
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

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 1532/4885NR3C2 2484/4885NR3C1 3049/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885NR3C2 2484/4885NR3C1 3049/4885

“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.