SCHEMBL6447508

SCHEMBL6447508

C=C[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.54
▸ CTSS P25774 2/20 0.54
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ REN P00797 2/20 0.39
▸ CACNA1B Q00975 1/20 0.38

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
SCHEMBL6447502 1.00 CTSK (0.54) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL7300364 0.88 CTSK (0.49) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL1861195 0.87 CTSK (0.55) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL8365044 0.87 CTSK (0.55) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL1861194 0.87 CTSK (0.55) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL7264559 0.85 CTSK (0.53) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL7264560 0.85 CTSK (0.53) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL9104062 0.84 CTSK (0.55) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL9104071 0.84 CTSK (0.55) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL13305814 0.83 CTSK (0.55) CTSKCTSSCTSLCTSBAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 — — EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 — — WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 — — US disclosed
EP-0311012-B1 Glaucoma treatment ABBOTT LAB (US) 1995-03-29 — — EP disclosed
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 — — US disclosed
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 — — EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 — — EP disclosed
EP-0255082-B1 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AG (DE) 1993-12-01 — — EP disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 — — US disclosed
US-4855286-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-08 — — US disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 — — US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 — — EP disclosed
EP-0310015-A2 Renin-inhibiting dipeptides, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 — — EP disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 — — EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 — — WO disclosed
US-4725583-A ANTIHYPERTENSIVE ABBOTT LABORATORIES (US) 1988-02-16 — — US disclosed
EP-0255082-A2 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 — — EP disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 — — EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 — — EP 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CTSK 92/4885CTSS 82/4885CTSL 303/4885

“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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