SCHEMBL22491374

SCHEMBL22491374

Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
LMNA P02545 1/20 0.48
NR3C2 P08235 11/20 0.46
NR3C1 P04150 5/20 0.46
OPRM1 P35372 3/20 0.45
OPRK1 P41145 3/20 0.45
OPRD1 P41143 2/20 0.45
OPRL1 P41146 2/20 0.45
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL29734502 1.00 MGLL (0.49) MGLLLMNANR3C2NR3C1OPRM1
SCHEMBL29734509 0.88 LMNA (0.47) MGLLLMNANR3C2GAAALDH1A1
SCHEMBL22491522 0.88 LMNA (0.47) MGLLLMNANR3C2GAAALDH1A1
SCHEMBL22491361 0.83 MGLL (0.51) MGLLLMNANR3C2NR3C1OPRM1
SCHEMBL29734532 0.83 MGLL (0.51) MGLLLMNANR3C2NR3C1OPRM1
SCHEMBL22491519 0.80 MGLL (0.51) MGLLLMNANR3C2NR3C1GAA
SCHEMBL29734572 0.80 MGLL (0.51) MGLLLMNANR3C2NR3C1GAA
SCHEMBL22797699 0.80 MGLL (0.49) MGLLLMNANR3C2NR3C1GAA
SCHEMBL29734527 0.80 MGLL (0.49) MGLLLMNANR3C2NR3C1GAA
SCHEMBL22491589 0.79 MGLL (0.51) MGLLLMNANR3C2NR3C1GAA

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 MGLL 1532/4885LMNA 16/4885NR3C2 2484/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885LMNA 16/4885NR3C2 2484/4885

“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.