SCHEMBL23835865

SCHEMBL23835865

COc1cccc2[nH]c(C(=O)N3CC[C@@H](OCc4ccccc4)C3)cc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.59
GRIN2D O15399 3/20 0.56
GRIN3B O60391 3/20 0.56
GRIN1 Q05586 3/20 0.56
GRIN2A Q12879 3/20 0.56
GRIN2B Q13224 3/20 0.56
GRIN2C Q14957 3/20 0.56
GRIN3A Q8TCU5 3/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SRD5A2 P31213 1/20 0.49
FLT3 P36888 1/20 0.47
IDO1 P14902 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL25770235 0.85 MEN1 (0.67) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25770253 0.85 HRH4 (0.62) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25770224 0.82 HRH4 (0.63) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24112555 0.82 HRH4 (0.63) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24112382 0.81 HRH4 (0.68) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25771886 0.81 HRH4 (0.68) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24112368 0.81 HRH4 (0.52) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7169459 0.81 GRIN2D (0.74) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25771901 0.81 HRH4 (0.64) HRH4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25771927 0.81 HRH4 (0.67) HRH4GRIN2DGRIN3BGRIN1GRIN2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-09-21 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-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL HRH4 3076/4885GRIN2D 3913/4885GRIN3B 3256/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HRH4 4259/4885GRIN2D 3878/4885GRIN3B 3665/4885

“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.