SCHEMBL5639220

SCHEMBL5639220

CN(C)CC1(c2ccc(N3CC(CNC(=O)c4cc5ccc(Cl)cc5[nH]4)CC3=O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 6/20 0.44
▸ PYGL P06737 10/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PYGM P11217 1/20 0.39
▸ F10 P00742 2/20 0.37

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
SCHEMBL5638730 0.94 HRH4 (0.47) PYGLHRH4HRH3
SCHEMBL5639974 0.90 HTR2C (0.45) —
SCHEMBL5640239 0.87 ALOX15 (0.41) ALOX15PYGLPYGMF10
SCHEMBL5642913 0.86 PYGL (0.34) PYGLHRH4HRH3F10
SCHEMBL5638279 0.85 LMNA (0.39) F10
SCHEMBL5642024 0.85 LMNA (0.37) F10
SCHEMBL5640819 0.83 F10 (0.41) F10
SCHEMBL5643266 0.83 POLB (0.36) F10
SCHEMBL5639606 0.82 F10 (0.45) F10
SCHEMBL5639571 0.82 TP53 (0.46) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — US 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 ALOX15 3135/4885PYGL 1786/4885HRH4 2495/4885

“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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