SCHEMBL3447174

SCHEMBL3447174

CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cc3cc(Cl)ccc3[nH]2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.55
▸ NAMPT P43490 3/20 0.55
▸ F10 P00742 2/20 0.54
▸ PYGL P06737 9/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ HRH4 Q9H3N8 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL3447178 1.00 CYP2C9 (0.55) CYP2C9NAMPTF10PYGLKDM4E
SCHEMBL3449048 0.93 CYP2C9 (0.53) CYP2C9NAMPTF10KDM4EPKM
SCHEMBL3449051 0.93 CYP2C9 (0.53) CYP2C9NAMPTF10KDM4EPKM
SCHEMBL22533699 0.88 CYP2C9 (0.58) CYP2C9NAMPTKDM4EPKM
SCHEMBL3336715 0.81 F10 (0.63) F10
SCHEMBL2940528 0.81 F10 (0.63) F10
SCHEMBL3336718 0.81 F10 (0.63) F10
SCHEMBL3450135 0.81 NAMPT (0.51) NAMPTKDM4EPKMHRH4MEN1
SCHEMBL3450134 0.81 NAMPT (0.51) NAMPTKDM4EPKMHRH4MEN1
SCHEMBL4591847 0.81 NAMPT (0.51) NAMPTKDM4EPKMHRH4MEN1

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 CYP2C9 430/4885NAMPT 2110/4885F10 4/4885

“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.

Send feedback