SCHEMBL3447216

SCHEMBL3447216

CO[C@H]1[CH]C(C(N)=O)N(CC(=O)Nc2ccc(N3CCOCC3=O)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.46
▸ MTOR P42345 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CALML3 P27482 1/20 0.37
▸ SDHA P31040 1/20 0.37
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL3449728 0.89 RAB9A (0.37) F10ALDH1A1LMNAMAOAPTGS1
SCHEMBL3450659 0.87 F10 (0.48) F10
SCHEMBL3449732 0.80 F10 (0.54) F10
SCHEMBL3447220 0.80 F10 (0.49) F10MTORALDH1A1RAB9A
SCHEMBL3448390 0.78 F10 (0.42) F10
SCHEMBL4592257 0.77 F10 (0.46) F10MTOR
SCHEMBL3448148 0.73 F10 (0.48) F10
SCHEMBL3451523 0.73 F10 (0.54) F10
SCHEMBL3454411 0.71 F10 (0.48) F10
SCHEMBL3448763 0.70 F10 (0.54) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247238-A1 Cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — US claimed
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
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 4/4885MTOR 2993/4885ALDH1A1 2056/4885

“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