SCHEMBL3545911

SCHEMBL3545911

CC1(c2ccccc2)CC(c2cc(N)cc(-c3ccc(C(N)=O)cc3C(=O)O)c2)Nc2ccc(C(=N)N)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 1.00
F7 P08709 20/20 1.00
F10 P00742 19/20 1.00
KLKB1 P03952 2/20 0.73
F2 P00734 1/20 0.73
PLG P00747 1/20 0.73
PLAU P00749 1/20 0.73
PLAT P00750 1/20 0.73
PROC P04070 1/20 0.73
PRSS1 P07477 1/20 0.73
PRSS2 P07478 1/20 0.73
PRSS3 P35030 1/20 0.73

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
SCHEMBL3540262 0.90 F11 (1.00) F11F7F10
SCHEMBL3549704 0.89 F11 (1.00) F11F7F10KLKB1F2
SCHEMBL5846505 0.89 F11 (0.82) F11F7F10KLKB1F2
SCHEMBL4737485 0.89 F11 (0.80) F11F7F10KLKB1F2
SCHEMBL4736432 0.88 F11 (0.89) F11F7F10KLKB1F2
SCHEMBL5845853 0.88 F11 (0.89) F11F7F10KLKB1F2
SCHEMBL5846870 0.87 F11 (0.88) F11F7F10KLKB1F2
SCHEMBL4737493 0.87 F11 (0.83) F11F7F10KLKB1F2
SCHEMBL4737987 0.87 F11 (0.88) F11F7F10KLKB1F2
SCHEMBL5846212 0.87 F11 (0.86) F11F7F10KLKB1F2

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
US-7138412-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US claimed
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US claimed
US-7709646-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
EP-1601656-A4 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-11 EP disclosed
US-7138412-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20060223854-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors QUAN MIMI L 2006-10-05 US disclosed
EP-1601656-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-07 EP disclosed
US-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
WO-2004080971-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-23 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 (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-20040235847-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors TFPI, F2, TFPI2 F11 7/4885F7 23/4885F10 18/4885
US-20060223854-A1 Tetrahydroquinoline derivatives useful as serine protease inhibitors F12, F2, TFPI F11 9/4885F7 20/4885F10 13/4885

“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.