SCHEMBL25758848

SCHEMBL25758848

CC(C)NC(=O)c1cc2ccc(Br)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.70
DRD4 P21917 1/20 0.56
HRH4 Q9H3N8 1/20 0.51
AR P10275 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
PYGL P06737 1/20 0.46
DRD2 P14416 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
SCHEMBL24019699 0.84 ALOX15 (0.72) ALOX15ARTAS1R3TAS1R1DRD2
SCHEMBL20535295 0.83 ALOX15 (0.68) ALOX15DRD4HRH4
SCHEMBL20534721 0.82 HRH4 (0.51) ALOX15DRD4HRH4
SCHEMBL23836123 0.82 ALOX15 (1.00) ALOX15HRH4PYGL
SCHEMBL24019694 0.82 ALOX15 (0.70) ALOX15ARTAS1R3TAS1R1PYGL
SCHEMBL13753384 0.80 DRD2 (0.68) ALOX15TAS1R3TAS1R1PYGLDRD2
SCHEMBL30310655 0.80 HRH4 (0.55) ALOX15DRD4HRH4
SCHEMBL19966319 0.80 HRH4 (0.55) ALOX15DRD4HRH4
SCHEMBL29949076 0.80 DRD2 (0.68) ALOX15TAS1R3TAS1R1PYGLDRD2
SCHEMBL2081729 0.80 HRH4 (0.55) ALOX15DRD4HRH4

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-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 ALOX15 1455/4885DRD4 4772/4885HRH4 4259/4885

“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.