SCHEMBL5899748

SCHEMBL5899748

NCC1(C(=O)O)CC1CCc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.36
DPP7 Q9UHL4 6/20 0.36
DPP9 Q86TI2 7/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
DPP8 Q6V1X1 4/20 0.35
SIGMAR1 Q99720 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 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
SCHEMBL5899756 0.90 HTR2A (0.41)
SCHEMBL5899751 0.87 DPP4 (0.37) DPP4DPP7DPP9DPP8SIGMAR1
SCHEMBL5899659 0.84 TAAR1 (0.44) ALDH1A1
SCHEMBL5899598 0.81 TAAR1 (0.40) FFAR4
SCHEMBL5899766 0.80 TAAR1 (0.45) SLC6A2SLC6A4
SCHEMBL5899805 0.80 FFAR4 (0.36) DPP4SIGMAR1FFAR4
SCHEMBL5899791 0.79 TRPA1 (0.40) DPP4DPP7SIGMAR1ALDH1A1
SCHEMBL5899599 0.79 FFAR4 (0.33) FFAR4
SCHEMBL5899760 0.77 TAAR1 (0.34) SLC6A2SLC6A4SIGMAR1FFAR4
SCHEMBL5899802 0.74 SLC1A2 (0.42) SLC6A2SLC6A4SLC6A3

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-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US disclosed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP disclosed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 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-20040147608-A1 Cyclopropyl beta-amino acid derivatives CACNA1S, CACNA1D, CACNA1B DPP4 1351/4885DPP7 1567/4885DPP9 2685/4885

“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.