SCHEMBL25758993

SCHEMBL25758993

CC(C)C1C[C@H](c2ccccc2)CN1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
SRD5A1 P18405 1/20 0.40
PIK3CD O00329 1/20 0.39
DRD2 P14416 2/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CCR5 P51681 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 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
SCHEMBL24019781 0.81 CCR5 (0.38) BRD4SRD5A1PIK3CDDRD2DRD1
SCHEMBL14877490 0.79 BRD4 (0.46) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL13481229 0.79 BRD4 (0.46) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL7736890 0.79 BRD4 (0.46) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL19844805 0.74 BRD4 (0.41) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL23815572 0.74 BRD4 (0.41) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL19844840 0.74 BRD4 (0.41) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL23682651 0.74 BRD4 (0.41) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL23682869 0.74 BRD4 (0.41) BRD4SRD5A1DRD2DRD1DRD4
SCHEMBL19844806 0.74 BRD4 (0.41) BRD4SRD5A1DRD2DRD1DRD4

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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL BRD4 2921/4885SRD5A1 2168/4885PIK3CD 3222/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV BRD4 3186/4885SRD5A1 2618/4885PIK3CD 3362/4885

“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.