SCHEMBL3449730

SCHEMBL3449730

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.45
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ KDM1A O60341 4/20 0.38
▸ MAOA P21397 4/20 0.38
▸ MAOB P27338 4/20 0.38
▸ RCOR1 Q9UKL0 4/20 0.38
▸ KDM1B Q8NB78 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CMA1 P23946 1/20 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
SCHEMBL3447220 0.89 F10 (0.49) F10RAB9AALDH1A1HRH3
SCHEMBL8260030 0.81 F10 (0.72) F10
SCHEMBL3449735 0.80 F10 (0.66) F10
SCHEMBL3449728 0.79 RAB9A (0.37) F10RAB9AALDH1A1MAPTNPC1
SCHEMBL3447396 0.78 F10 (0.52) F10
SCHEMBL4592227 0.75 MAPK10 (0.39) F10KDM1AMAOAMAOBRCOR1
SCHEMBL3450661 0.73 F10 (0.51) F10ALDH1A1
SCHEMBL3451525 0.72 F10 (0.67) F10
SCHEMBL3449055 0.71 F10 (0.68) F10
SCHEMBL8260042 0.71 F10 (0.72) 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 F10 4/4885RAB9A 2236/4885ALDH1A1 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