SCHEMBL3702245

SCHEMBL3702245

NC(=O)C12CC(Oc3nccc4ccccc34)CN1C(=O)C(N)CCCCC/C=C/C1CC1([C]=O)NC2=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL4357746 0.75 CYP3A4 (0.36) —
SCHEMBL6025399 0.70 CTSB (0.44) BTKHCRTR1HCRTR2
SCHEMBL14586235 0.70 CTSB (0.44) BTKHCRTR1HCRTR2
SCHEMBL4356695 0.68 ADRB3 (0.39) —
SCHEMBL5564180 0.66 ADRB3 (0.32) BTKHCRTR1HCRTR2
SCHEMBL7875375 0.66 ADRB3 (0.46) BTKHCRTR1HCRTR2
SCHEMBL7880706 0.65 ADRB3 (0.45) HCRTR1HCRTR2
SCHEMBL7875398 0.64 ADRB3 (0.40) BTK
SCHEMBL3698151 0.63 ADRB3 (0.50) HCRTR1HCRTR2
SCHEMBL8300307 0.63 ADRB3 (0.50) HCRTR1HCRTR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033654-B1 Process for resolving a mixture of alkyl ester enantiomers using an enzyme BRISTOL MYERS SQUIBB CO (US) 2012-05-16 — — EP disclosed
EP-2033654-A1 Macrocyclic isoquinoline peptide inhibitors of hepatitis c virus Bristol-Myers Squibb Company (US) 2009-03-11 — — EP disclosed
EP-1629000-B1 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-02-18 — — EP 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

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-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS BTK 3865/4885HCRTR1 2737/4885HCRTR2 3469/4885

“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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