SCHEMBL24740169

SCHEMBL24740169

CC(N)[C@H]1C(=O)Nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.48
▸ TDO2 P48775 2/20 0.48
▸ HTR2A P28223 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ BRPF1 P55201 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTR5A P47898 1/20 0.38

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
SCHEMBL24740261 1.00 IDO1 (0.48) IDO1TDO2HTR2AKMT2AGSK3B
SCHEMBL23836089 0.85 IDO1 (0.46) IDO1TDO2KMT2AGSK3BBRPF1
SCHEMBL7310972 0.85 IDO1 (0.46) IDO1TDO2KMT2AGSK3BBRPF1
SCHEMBL12520453 0.82 IDO1 (0.44) IDO1TDO2KMT2AGSK3BBRPF1
SCHEMBL231890 0.78 IDO1 (0.44) IDO1TDO2KMT2AGSK3BBRPF1
SCHEMBL20416267 0.77 IDO1 (0.43) IDO1TDO2KMT2AGSK3BBRPF1
SCHEMBL20340898 0.75 IDO1 (0.67) IDO1TDO2GSK3BBRPF1CREBBP
SCHEMBL7012095 0.73 KMT2A (0.41) KMT2AMAPTKDM4ETDP1MEN1
SCHEMBL22730881 0.72 HTR5A (0.40) IDO1HTR2AKMT2AMAPTTDP1
SCHEMBL9774494 0.71 SLC6A2 (0.43) IDO1TDO2KMT2AMAPTKDM4E

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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 — — 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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL IDO1 1633/4885TDO2 2237/4885HTR2A 3628/4885

“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.

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