SCHEMBL3448298

SCHEMBL3448298

CCOC(=O)CN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](O)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.50
▸ F2 P00734 2/20 0.49
▸ F11 P03951 2/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3449536 0.88 F10 (0.54) F10F2F11MEN1KMT2A
SCHEMBL3447166 0.81 F10 (0.50) F10F2F11MEN1KMT2A
SCHEMBL3447170 0.81 F10 (0.50) F10F2F11MEN1KMT2A
SCHEMBL3448256 0.80 F10 (0.46) F10F2F11MEN1KMT2A
SCHEMBL3448260 0.80 F10 (0.46) F10F2F11MEN1KMT2A
SCHEMBL3448112 0.79 KMT2A (0.45) F10F2F11MEN1KMT2A
SCHEMBL3448639 0.79 KMT2A (0.55) F10F2F11MEN1KMT2A
SCHEMBL3448115 0.79 KMT2A (0.45) F10F2F11MEN1KMT2A
SCHEMBL6928345 0.75 OGA (0.38) SMN1; SMN2
SCHEMBL6927102 0.75 OGA (0.38) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
EP-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 — — EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — WO disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — WO disclosed
US-20060247238-A1 Cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — 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-20060247238-A1 Cyclic amines F12, F11, F2 F10 4/4885F2 3/4885F11 2/4885

“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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