SCHEMBL22491561

SCHEMBL22491561

Cn1cc(C2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 11/20 0.50
MGLL Q99685 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 2/20 0.45
NR3C1 P04150 3/20 0.44
ESR1 P03372 1/20 0.43
PKM P14618 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
SCHEMBL22491410 0.89 MGLL (0.55) NR3C2MGLLLMNANR3C1
SCHEMBL29734527 0.89 MGLL (0.49) NR3C2MGLLMAPTLMNAALDH1A1
SCHEMBL29734501 0.89 MGLL (0.49) NR3C2MGLLMAPTLMNAALDH1A1
SCHEMBL29734391 0.89 MGLL (0.55) NR3C2MGLLLMNANR3C1
SCHEMBL22491373 0.89 MGLL (0.55) NR3C2MGLLLMNANR3C1
SCHEMBL22491368 0.89 MGLL (0.49) NR3C2MGLLMAPTLMNAALDH1A1
SCHEMBL22797699 0.89 MGLL (0.49) NR3C2MGLLMAPTLMNAALDH1A1
SCHEMBL29734624 0.87 MGLL (0.46) NR3C2MGLLMAPTLMNAALDH1A1
SCHEMBL22773219 0.87 MGLL (0.46) NR3C2MGLLMAPTLMNAALDH1A1
SCHEMBL22491453 0.85 MGLL (0.53) NR3C2MGLLMAPTLMNAALDH1A1

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 NR3C2 2484/4885MGLL 1532/4885MAPT 3857/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY NR3C2 2484/4885MGLL 1532/4885MAPT 3857/4885

“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.