SCHEMBL5899756

SCHEMBL5899756

NCC1(C(=O)O)CC1CCc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.41
HTR2C P28335 12/20 0.41
KCNH2 Q12809 4/20 0.36
DRD2 P14416 3/20 0.36
MAOB P27338 1/20 0.35
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
GRIN2B Q13224 1/20 0.34

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
SCHEMBL5899748 0.90 DPP4 (0.36)
SCHEMBL5899791 0.87 TRPA1 (0.40) HTR2AHTR2CMAOBIDO1AGXT
SCHEMBL5899659 0.84 TAAR1 (0.44) MAOB
SCHEMBL5899598 0.81 TAAR1 (0.40) MAOB
SCHEMBL5899805 0.80 FFAR4 (0.36) MAOBGRIN2B
SCHEMBL5899766 0.80 TAAR1 (0.45) MAOB
SCHEMBL5899751 0.79 DPP4 (0.37)
SCHEMBL5899599 0.79 FFAR4 (0.33)
SCHEMBL5899760 0.77 TAAR1 (0.34) MAOBGRIN2B
SCHEMBL5899802 0.74 SLC1A2 (0.42) HTR2A

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 HTR2A 235/4885HTR2C 285/4885KCNH2 287/4885

“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.