SCHEMBL24739970

SCHEMBL24739970

CC(C)NC(=O)c1cc2cc(OCCN3CCOCC3)ncc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.44
▸ PPARG P37231 1/20 0.43
▸ SYK P43405 4/20 0.42
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL24019990 0.90 KDM4E (0.49) KDM4EALDH1A1PDGFRBPDGFRAMAPT
SCHEMBL24449992 0.77 DRD2 (0.50) KDM4EALDH1A1PDGFRBPDGFRAHSD17B10
SCHEMBL13702141 0.76 HRH3 (0.60) KDM4EALDH1A1MAPTATMHRH3
SCHEMBL23836127 0.75 CTSL (0.49) —
SCHEMBL23836550 0.75 CTSL (0.49) —
SCHEMBL25765046 0.74 HRH3 (0.44) KDM4EALDH1A1MAPTATMHRH3
SCHEMBL25768176 0.72 HRH3 (0.43) KDM4EALDH1A1PDGFRBPDGFRAMAPT
SCHEMBL2106904 0.71 KDM4E (0.65) KDM4EALDH1A1MAPTHSD17B10SYK
SCHEMBL25758892 0.70 ALOX15 (0.59) KDM4EALDH1A1MAPTDRD2ALOX15
SCHEMBL24019681 0.70 DRD2 (0.47) KDM4EALDH1A1PDGFRBPDGFRAMAPT

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-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 (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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL KDM4E 2930/4885ALDH1A1 2252/4885PDGFRB 3175/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV KDM4E 3122/4885ALDH1A1 1863/4885PDGFRB 3187/4885

“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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