SCHEMBL3449728

SCHEMBL3449728

CO[C@H]1[CH]C(C(N)=O)N(CC(=O)Nc2ccc(N3CCOC3=O)cc2F)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ F10 P00742 5/20 0.36
▸ MAOA P21397 3/20 0.36
▸ MAOB P27338 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CALML3 P27482 1/20 0.36
▸ SDHA P31040 1/20 0.36
▸ CMA1 P23946 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TTK P33981 1/20 0.34

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
SCHEMBL3447216 0.89 F10 (0.46) RAB9AF10MAOAMAOBLMNA
SCHEMBL3449732 0.81 F10 (0.54) F10
SCHEMBL3448390 0.79 F10 (0.42) F10
SCHEMBL3449730 0.79 F10 (0.45) RAB9AF10MAOAMAOBCMA1
SCHEMBL4592227 0.77 MAPK10 (0.39) MAPK10F10MAOAMAOBLMNA
SCHEMBL3450659 0.74 F10 (0.48) F10
SCHEMBL3451523 0.74 F10 (0.54) F10
SCHEMBL3454411 0.72 F10 (0.48) F10
SCHEMBL3449050 0.72 F10 (0.54) F10
SCHEMBL3448763 0.72 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 2 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-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 RAB9A 2236/4885MAPK10 1985/4885F10 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.

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