SCHEMBL6795328

SCHEMBL6795328

CN(CCC1(OC=O)CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
PDK2 Q15119 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4137256 0.80 FPR3 (0.32) FPR3FPR2PDK2
SCHEMBL5924850 0.77 EPHX2 (0.32)
SCHEMBL6630560 0.75 CYP2C19 (0.36) FPR3FPR2PDK2HTR2CSLC6A4
SCHEMBL6628984 0.73 CYP4F2 (0.47) FPR3FPR2PDK2HTR2CSLC6A4
SCHEMBL6630535 0.73 TDP1 (0.42) FPR3FPR2
SCHEMBL10260946 0.71 HDAC6 (0.40) FPR3FPR2PDK2HTR2CSLC6A4
SCHEMBL19608874 0.69 FPR3 (0.32) FPR3FPR2PDK2
SCHEMBL12010372 0.69 PDK2 (0.38) FPR3FPR2PDK2
SCHEMBL24812990 0.69 ASGR1 (0.36) FPR3FPR2PDK2
SCHEMBL380577 0.69 HDAC6 (0.39) FPR3FPR2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040210051-A1 N-alkanoylphenylalanine derivatives CHEN LI (US) 2004-10-21 US disclosed
US-6806365-B2 ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. HOFFMANN-LA ROCHER INC. 2004-10-19 US disclosed
US-20030109459-A1 N-alkanoylphenylalamine derivatives CHEN LI (US) 2003-06-12 US disclosed
US-6455550-B1 INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-09-24 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-20030109459-A1 N-alkanoylphenylalamine derivatives VCAM1, ICAM1, SELL FPR3 402/4885FPR2 431/4885PDK2 3175/4885
US-20040210051-A1 N-alkanoylphenylalanine derivatives VCAM1, ICAM1, CD59 FPR3 322/4885FPR2 374/4885PDK2 2890/4885

“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.