SCHEMBL2736340

SCHEMBL2736340

COC(=O)[C@@H](N)Cc1cn(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
MTOR P42345 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
SCN9A Q15858 4/20 0.40
CPB2 Q96IY4 8/20 0.38
CPB1 P15086 4/20 0.38
HPGDS O60760 1/20 0.37
FPR2 P25090 1/20 0.37
ACACB O00763 1/20 0.35
TRHR P34981 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1693106 1.00 CYP2C9 (0.44) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL29400350 0.98 TDP1 (0.45) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL17508084 0.85 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL14019686 0.84 CPB2 (0.35) CPB2CPB1ALDH1A1
SCHEMBL7950368 0.84 CPB2 (0.35) CPB2CPB1ALDH1A1
SCHEMBL16508838 0.83 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL8348975 0.83 CPB2 (0.57) CPB2CPB1
SCHEMBL52215 0.83 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL5717645 0.83 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL52216 0.83 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS PARDES BIOSCIENCES INC (US) 2026-04-30 US disclosed
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2024-11-19 US disclosed
US-20240270721-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2024-08-15 US disclosed
US-20240270693-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2024-08-15 US disclosed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
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
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
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 US disclosed
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 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 (11 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-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO CYP2C9 113/4885TSHR 4631/4885CYP2C19 119/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 CYP2C9 410/4885TSHR 1955/4885CYP2C19 476/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP2C9 476/4885TSHR 1865/4885CYP2C19 576/4885
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS CTRC, CTRL, CTSL CYP2C9 1090/4885TSHR 2799/4885CYP2C19 2677/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP2C9 476/4885TSHR 1865/4885CYP2C19 576/4885
US-20240270693-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL CYP2C9 821/4885TSHR 4585/4885CYP2C19 1232/4885
US-20240270721-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL CYP2C9 377/4885TSHR 4702/4885CYP2C19 531/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL CYP2C9 377/4885TSHR 4702/4885CYP2C19 531/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP2C9 615/4885TSHR 2019/4885CYP2C19 716/4885
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL CYP2C9 821/4885TSHR 4585/4885CYP2C19 1232/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CYP2C9 375/4885TSHR 4669/4885CYP2C19 528/4885

“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.