SCHEMBL2584302

SCHEMBL2584302

CN(C[C]=O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 3/20 0.66
▸ LMNA P02545 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ MAOB P27338 2/20 0.66
▸ USP2 O75604 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ MAOA P21397 1/20 0.66
▸ ALDH1A1 P00352 4/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ BLM P54132 1/20 0.63
▸ CARM1 Q86X55 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52
▸ PRMT8 Q9NR22 1/20 0.52
▸ AOC3 Q16853 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CA12 O43570 1/20 0.46

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
SCHEMBL5149201 0.80 TAAR1 (0.55) ALDH1A1AOC3SIGMAR1
SCHEMBL11558833 0.80 CARM1 (0.58) PYCR1LMNATSHRMAOBUSP2
Dibemethine SCHEMBL276863 0.79 ALDH1A1 (0.70) PYCR1LMNATSHRMAOBUSP2
Dibemethine SCHEMBL10542007 0.79 ALDH1A1 (0.70) PYCR1LMNATSHRMAOBUSP2
Pargyline SCHEMBL2045 0.79 PYCR1 (1.00) PYCR1LMNATSHRMAOBUSP2
Pargyline SCHEMBL18036659 0.79 PYCR1 (1.00) PYCR1LMNATSHRMAOBUSP2
SCHEMBL10684904 0.79 PYCR1 (0.66) PYCR1LMNATSHRMAOBUSP2
SCHEMBL14661612 0.79 PYCR1 (0.66) PYCR1LMNATSHRMAOBUSP2
SCHEMBL8504883 0.78 ALDH1A1 (0.45) PYCR1LMNATSHRMAOBUSP2
SCHEMBL4669315 0.78 CHRNB2 (0.67) PYCR1LMNATSHRMAOBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037941-B2 Alpha-and Beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-05-02 — — US claimed
US-20050267214-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 — — US claimed
JP-3657002-B2 — — 2005-06-08 — — JP claimed
US-20030158236-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-08-21 — — US claimed
US-6444678-B1 α- and β-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. 2002-09-03 — — US claimed
US-6156768-A Alpha- and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-12-05 — — US claimed
EP-0656887-B1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-10-28 — — EP claimed
EP-0666842-B1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-06-24 — — EP claimed
EP-0558630-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1998-04-08 — — EP claimed
US-5708004-A ENZYME INHIBITORS FOR TREATMENT OF AIDS MONSANTO COMPANY (US) 1998-01-13 — — US claimed
US-5482947-A ENZYME INHIBITORS FOR HIV PROTEASE INHIBITION FROM UREA OR THIOUREA COMPOUNDS TALLEY JOHN J (US) 1996-01-09 — — US claimed
EP-0666842-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 — — EP claimed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 — — EP claimed
WO-1994010134-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-05-11 — — WO claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 — — WO claimed
WO-1993023368-A1 UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1993-11-25 — — WO claimed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 — — EP claimed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 — — EP claimed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 — — WO claimed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 — — WO claimed

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-20030158236-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors ASPH, DNPEP, PEPD PYCR1 2965/4885LMNA 2041/4885TSHR 4527/4885
US-20050267214-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors ASPH, DNPEP, PEPD PYCR1 3065/4885LMNA 1985/4885TSHR 4491/4885

“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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