SCHEMBL3456589

SCHEMBL3456589

Cc1cc(CNC2CC(C(=O)O)C2)ccc1-c1noc(-c2ccc(CC(C)C)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.61
S1PR5 Q9H228 14/20 0.57
S1PR3 Q99500 12/20 0.57
S1PR4 O95977 5/20 0.57

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
SCHEMBL4951287 1.00 S1PR1 (0.61) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3456676 1.00 S1PR1 (0.61) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3456542 0.88 S1PR1 (0.58) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3456832 0.88 S1PR1 (0.58) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3457174 0.88 S1PR1 (0.75) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3456510 0.88 S1PR1 (0.75) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3456507 0.88 S1PR1 (0.75) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3456666 0.88 S1PR1 (0.75) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3456671 0.88 S1PR1 (0.75) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3456285 0.87 S1PR1 (0.59) S1PR1S1PR5S1PR3S1PR4

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 14 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
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-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 US 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
EP-2021338-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Products Inc. (US) 2009-02-11 EP disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 US disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 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 (3 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 104/4885S1PR5 248/4885S1PR3 67/4885
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR5 6/4885S1PR3 4/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 S1PR1 104/4885S1PR5 248/4885S1PR3 67/4885

“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.