SCHEMBL24020774

SCHEMBL24020774

O=C(O)c1cc2c(OCCN3CCOCC3)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.56
▸ POLB P06746 2/20 0.54
▸ KDM4E B2RXH2 4/20 0.53
▸ PDGFRB P09619 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ DRD2 P14416 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD5 P21918 1/20 0.47

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
SCHEMBL24020775 0.88 DRD2 (0.55) POLBKDM4EPDGFRBPDGFRADRD2
SCHEMBL23836113 0.86 KDM4E (0.53) POLBKDM4EPDGFRBPDGFRADRD2
SCHEMBL24449992 0.86 DRD2 (0.50) POLBKDM4EPDGFRBPDGFRADRD2
SCHEMBL24019681 0.84 DRD2 (0.47) POLBKDM4EPDGFRBPDGFRADRD2
SCHEMBL4067053 0.79 MAOB (0.53) POLBKDM4ECNR1CNR2MAOB
SCHEMBL30310677 0.77 SRD5A2 (0.67) SRD5A2POLBKDM4EDRD2DRD3
SCHEMBL24020490 0.77 SRD5A2 (0.67) SRD5A2POLBKDM4EDRD2DRD3
SCHEMBL13460613 0.76 PDGFRB (0.77) SRD5A2KDM4EPDGFRBPDGFRADRD2
SCHEMBL12596312 0.76 SRD5A2 (0.66) SRD5A2POLBKDM4EDRD2DRD3
Hydrochloric Acid SCHEMBL3434669 0.76 PDGFRB (0.76) SRD5A2KDM4EPDGFRBPDGFRADRD2

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 6 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
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 — — EP disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 — — US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 — — WO disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 — — 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 (3 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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL SRD5A2 3702/4885POLB 2487/4885KDM4E 2930/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL SRD5A2 3702/4885POLB 2487/4885KDM4E 2930/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV SRD5A2 2669/4885POLB 2188/4885KDM4E 3122/4885

“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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