SCHEMBL25769740

SCHEMBL25769740

CCC1(C(C)C)CC(c2cccnc2)CN1C(=O)c1cc2c(OC)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.49
HRH4 Q9H3N8 1/20 0.43
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
RCE1 Q9Y256 1/20 0.38
FLT3 P36888 1/20 0.38
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL24754511 0.92 HRH4 (0.46) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL25759299 0.89 IDO1 (0.50) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL24112361 0.86 IDO1 (0.52) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL25769663 0.82 HRH4 (0.49) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL25759295 0.80 HRH4 (0.48) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL25769737 0.79 HRH4 (0.46) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL25759293 0.78 HRH4 (0.50) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL24019995 0.77 HRH4 (0.49) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL24112363 0.77 HRH4 (0.51) IDO1HRH4DRD2DRD3KMT2A
SCHEMBL25759288 0.77 IDO1 (0.57) IDO1HRH4DRD2DRD3KMT2A

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV IDO1 1859/4885HRH4 4259/4885DRD2 4609/4885

“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.