SCHEMBL5899599

SCHEMBL5899599

NCC1(C(=O)O)CC1CCc1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
EPHX1 P07099 1/20 0.32
AKR1B1 P15121 1/20 0.31

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
SCHEMBL5899766 0.87 TAAR1 (0.45)
SCHEMBL5899598 0.86 TAAR1 (0.40) FFAR4AKR1B1
SCHEMBL5899686 0.85 GRM2 (0.34) EPHX1
SCHEMBL5899802 0.81 SLC1A2 (0.42)
SCHEMBL5899756 0.79 HTR2A (0.41)
SCHEMBL5899748 0.79 DPP4 (0.36) FFAR4
SCHEMBL5899760 0.76 TAAR1 (0.34) FFAR4EPHX1
SCHEMBL5899659 0.75 TAAR1 (0.44)
SCHEMBL5899610 0.75 SLC1A1 (0.41)
SCHEMBL5899772 0.74 TRPA1 (0.43)

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 2 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
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 FFAR4 535/4885EPHX1 3505/4885AKR1B1 2711/4885

“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.