SCHEMBL3449284

SCHEMBL3449284

CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1CNS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.38
ACKR3 P25106 1/20 0.36
HK1 P19367 1/20 0.36
HK2 P52789 1/20 0.36
F2 P00734 2/20 0.36
F11 P03951 2/20 0.36
MAPK1 P28482 1/20 0.34
NR1H2 P55055 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
SCHEMBL3447620 0.88 F10 (0.39) F10ACKR3F2F11MAPK1
SCHEMBL3448349 0.87 F10 (0.43) F10ACKR3F2F11MAPK1
SCHEMBL3450355 0.86 F10 (0.41) F10ACKR3F2F11MAPK1
SCHEMBL3447699 0.86 F10 (0.39) F10ACKR3F2F11MAPK1
SCHEMBL3450031 0.85 F10 (0.47) F10ACKR3F2F11MAPK1
SCHEMBL3447739 0.84 ACKR3 (0.39) F10ACKR3F2F11
SCHEMBL3449216 0.83 F10 (0.47) F10ACKR3F2F11MAPK1
SCHEMBL3448176 0.81 F10 (0.40) F10ACKR3F2F11MAPK1
SCHEMBL3448418 0.81 F10 (0.42) F10ACKR3F2F11
SCHEMBL3449111 0.80 F10 (0.39) F10ACKR3F2F11

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 4/4885ACKR3 568/4885HK1 3009/4885

“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.