SCHEMBL4606477

SCHEMBL4606477

N#C[C@@]1(C(=O)O)CCCN1.O=C(O)CNC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.40
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL2032187 0.81 ARG1 (0.34)
SCHEMBL250459 0.75 ALDH1A1 (0.50) DPP4ALDH1A1KDM4E
SCHEMBL163395 0.75 ALDH1A1 (0.50) DPP4ALDH1A1KDM4E
SCHEMBL122347 0.75 ALDH1A1 (0.50) DPP4ALDH1A1KDM4E
SCHEMBL159315 0.75 ALDH1A1 (0.50) DPP4ALDH1A1KDM4E
SCHEMBL173401 0.75 ALDH1A1 (0.50) DPP4ALDH1A1KDM4E
SCHEMBL201078 0.75 ALDH1A1 (0.50) DPP4ALDH1A1KDM4E
SCHEMBL28833359 0.75 ALDH1A1 (0.50) DPP4ALDH1A1KDM4E
Methane SCHEMBL8655712 0.74 ALDH1A1 (0.48) DPP4ALDH1A1KDM4E
SCHEMBL22029349 0.74 ALDH1A1 (0.48) DPP4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280856-A1 Fibroblast Activation Protein Inhibitor Compounds and Methods GENENTECH, INC. (US) 2008-11-13 US disclosed
EP-1943257-A2 FIBROBLAST ACTIVATION PROTEIN INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2008-07-16 EP disclosed
US-7399869-B2 N-blocked peptide proline boronate compounds; hyperproliferative disorders like cancer, neurodegeneration, cardiac hypertrophy, pain, migraine, neurotraumatic disease, cirrhosis, fibromatosis, and rheumatoid arthritis GENENTECH, INC. (US) 2008-07-15 US disclosed
US-20060276435-A1 Fibroblast activation protein inhibitor compounds and methods GENENTECH, INC. (US) 2006-12-07 US disclosed
WO-2006125227-A2 FIBROBLAST ACTIVATION PROTEIN INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-11-23 WO 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-20060276435-A1 Fibroblast activation protein inhibitor compounds and methods FAP, FIBP, FGFR1 DPP4 305/4885DPP8 220/4885DPP9 145/4885
US-20080280856-A1 Fibroblast Activation Protein Inhibitor Compounds and Methods FAP, FIBP, FGFR1 DPP4 305/4885DPP8 220/4885DPP9 145/4885

“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.