SCHEMBL5899772

SCHEMBL5899772

NCC1(C(=O)O)CC1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
CTBP2 P56545 1/20 0.37
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
EPHX2 P34913 1/20 0.36
CPA1 P15085 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL5899749 0.86 SLC6A4 (0.40) GRM2GRM3
SCHEMBL5899598 0.85 TAAR1 (0.40) CTBP2GRM2GRM3
SCHEMBL5899686 0.85 GRM2 (0.34) GRM2GRM3
SCHEMBL5899610 0.83 SLC1A1 (0.41) TRPA1GRM2GRM3
SCHEMBL5899751 0.80 DPP4 (0.37) GRM2GRM3
SCHEMBL5899791 0.80 TRPA1 (0.40) TRPA1
SCHEMBL5899618 0.78 EPHX1 (0.35) GRM2GRM3EPHX2
SCHEMBL5899706 0.77 TAAR1 (0.39)
SCHEMBL5899615 0.75 KDM1A (0.44)
SCHEMBL5899736 0.74 FFAR4 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1764634-A Cyclopropyl beta-amino acid derivatives WARNER LAMBERT CO (US) 2006-04-26 CN disclosed
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 TRPA1 230/4885CTBP2 1263/4885GRM2 153/4885

“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.