SCHEMBL22491522

SCHEMBL22491522

COc1ccc2[nH]c(C)c(C3CCN(C(=O)c4ccc5c(c4)NC(=O)CO5)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MGLL Q99685 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
POLB P06746 2/20 0.45
NR3C2 P08235 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C9 P11712 1/20 0.42
MAPKAPK2 P49137 2/20 0.42
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
FASN P49327 1/20 0.41

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
SCHEMBL29734509 1.00 LMNA (0.47) LMNAMGLLDRD2DRD4POLB
SCHEMBL22491374 0.88 MGLL (0.49) LMNAMGLLNR3C2MAPTGAA
SCHEMBL29734502 0.88 MGLL (0.49) LMNAMGLLNR3C2MAPTGAA
SCHEMBL22491423 0.84 HSD11B1 (0.50) LMNAMGLLDRD2DRD4NR3C2
SCHEMBL22773219 0.79 MGLL (0.46) LMNAMGLLDRD2DRD4POLB
SCHEMBL29734624 0.79 MGLL (0.46) LMNAMGLLDRD2DRD4POLB
SCHEMBL21061772 0.77 MGLL (0.57) LMNAMGLLDRD2DRD4NR3C2
SCHEMBL30541727 0.75 MGLL (0.55) LMNAMGLLDRD2DRD4NR3C2
SCHEMBL21062064 0.75 MGLL (0.55) LMNAMGLLDRD2DRD4NR3C2
SCHEMBL22491559 0.74 ALDH1A1 (0.50) LMNAMGLLDRD2DRD4POLB

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 LMNA 16/4885MGLL 1532/4885DRD2 1811/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY LMNA 16/4885MGLL 1532/4885DRD2 1811/4885

“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.