SCHEMBL3456367

SCHEMBL3456367

Cc1ccc(-c2nc(-c3cccc(CN[C@H]4C[C@@H](C(=O)O)C4)c3)no2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
S1PR4 O95977 4/20 0.48
S1PR5 Q9H228 4/20 0.48
RXFP3 Q9NSD7 3/20 0.47
S1PR3 Q99500 2/20 0.46
HAVCR2 Q8TDQ0 2/20 0.45
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
MARK3 P27448 1/20 0.43
PLK1 P53350 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3456321 1.00 S1PR1 (0.49) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL3456527 0.91 S1PR1 (0.51) S1PR1NPC1RAB9AS1PR4S1PR5
SCHEMBL3456549 0.91 S1PR1 (0.51) S1PR1NPC1RAB9AS1PR4S1PR5
SCHEMBL3456341 0.89 S1PR1 (0.57) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL3456339 0.89 S1PR1 (0.57) S1PR1S1PR4S1PR5S1PR3MAP4K4
SCHEMBL3456347 0.89 S1PR1 (0.46) S1PR1NPC1RAB9AS1PR4S1PR5
SCHEMBL3456348 0.89 S1PR1 (0.46) S1PR1NPC1RAB9AS1PR4S1PR5
SCHEMBL3456954 0.89 S1PR1 (0.58) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL3456955 0.89 S1PR1 (0.58) S1PR1NPC1RAB9ANFKB1NFKB2
SCHEMBL3098732 0.89 S1PR1 (0.65) S1PR1S1PR4S1PR5S1PR3DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 EP claimed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 US claimed
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 EP disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 US disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 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 (2 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-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 S1PR1 104/4885NPC1 2411/4885RAB9A 790/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 S1PR1 104/4885NPC1 2411/4885RAB9A 790/4885

“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.