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SCHEMBL2240442

SCHEMBL2240442

CC(C)OC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ WNT3 P56703 1/20 0.36
▸ SFRP1 Q8N474 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ GPR119 Q8TDV5 5/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL30289778 0.88 CHRM2 (0.41) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL12105456 0.88 CHRM2 (0.41) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL713924 0.88 CHRM2 (0.41) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL1372911 0.88 CHRM2 (0.41) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL476304 0.85 KMT2A (0.41) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL540990 0.85 KMT2A (0.41) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL476303 0.85 KMT2A (0.41) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL6743320 0.83 CHRM2 (0.38) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL20345647 0.82 CHRM2 (0.41) ACECHRM2CHRM1CHRM3WNT3
SCHEMBL4174747 0.82 ACE (0.49) ACECHRM2CHRM1CHRM3WNT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192875-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2021-12-07 — — US disclosed
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-12-17 — — US disclosed
US-10584109-B2 Processes for preparing antiviral compounds Gillead Pharmasset LLC (US) 2020-03-10 — — US disclosed
US-20190263771-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-08-29 — — US disclosed
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2018-06-28 — — US disclosed
US-9890134-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2018-02-13 — — US disclosed
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 — — US disclosed
US-9670187-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-06 — — US disclosed
EP-3154984-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2017-04-19 — — EP disclosed
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
WO-2007044933-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 — — WO disclosed
WO-2007044933-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 — — WO disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
EP-1629000-A4 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2006-11-29 — — EP disclosed
US-20060257980-A1 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2006-11-16 — — US disclosed
EP-1629000-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-03-01 — — EP disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 — — US disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — WO disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — WO 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 (7 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-10584109-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 ACE 212/4885CHRM2 4823/4885CHRM1 4743/4885
US-11192875-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 ACE 212/4885CHRM2 4823/4885CHRM1 4743/4885
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ACE 212/4885CHRM2 4823/4885CHRM1 4743/4885
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS ACE 564/4885CHRM2 4531/4885CHRM1 4382/4885
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ACE 212/4885CHRM2 4823/4885CHRM1 4743/4885
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ACE 212/4885CHRM2 4823/4885CHRM1 4743/4885
US-20190263771-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 ACE 212/4885CHRM2 4823/4885CHRM1 4743/4885

“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.