SCHEMBL25758352

SCHEMBL25758352

CC(C)C(C)Cc1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.46
ALOX15 P16050 1/20 0.42
TXN P10599 1/20 0.41
TXNRD1 Q16881 1/20 0.41
HTR1A P08908 1/20 0.40
TERT O14746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FDPS P14324 1/20 0.37
TBXAS1 P24557 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
SCHEMBL6953480 0.86 TAAR1 (0.45) TAAR1ALOX15TXNTXNRD1HTR1A
SCHEMBL233107 0.83
Hydrochloric Acid SCHEMBL28589773 0.81 TAAR1 (0.47) TAAR1ALOX15TXNTXNRD1HTR1A
Hydrochloric Acid SCHEMBL26696102 0.81 TAAR1 (0.47) TAAR1ALOX15TXNTXNRD1HTR1A
Hydrochloric Acid SCHEMBL28795928 0.81 TAAR1 (0.47) TAAR1ALOX15TXNTXNRD1HTR1A
SCHEMBL18638790 0.80 TAAR1 (0.44) TAAR1ALOX15TXNTXNRD1HTR1A
SCHEMBL8543644 0.80 TAAR1 (0.44) TAAR1ALOX15TXNTXNRD1HTR1A
SCHEMBL6272104 0.79
SCHEMBL622385 0.79
SCHEMBL1665687 0.79

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 TAAR1 4833/4885ALOX15 1562/4885TXN 788/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV TAAR1 4801/4885ALOX15 1455/4885TXN 824/4885

“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.