SCHEMBL5899762

SCHEMBL5899762

CCCCC1CC1(CN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 6/20 0.34
ARG2 P78540 5/20 0.34
SLC1A2 P43004 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX5 P09917 1/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL5899581 0.89 GRM2 (0.33) GRM5GRM1GRM2
SCHEMBL5899778 0.82 ARG1 (0.31) ARG1ARG2ALDH1A1
SCHEMBL5899569 0.81 ALDH1A1 (0.34) ARG1ARG2SLC6A2SLC6A4ALDH1A1
SCHEMBL3546456 0.81 GRM2 (0.35) SLC6A2SLC6A4GRM5GRM1GRM2
SCHEMBL11214435 0.80 ALOX5 (0.40) ALDH1A1ALOX5
SCHEMBL5899606 0.78 CPB2 (0.31)
SCHEMBL5899637 0.78 MAPT (0.35) SLC1A2
SCHEMBL5899650 0.77 SLC6A2 (0.33) SLC6A2SLC6A4GRM5GRM1GRM2
SCHEMBL28747541 0.74 GRM2 (0.55) ARG1ARG2GRM5GRM1GRM2
SCHEMBL11029945 0.74 SLC6A2 (0.37) SLC6A2SLC6A4

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 8 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 claimed
US-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US claimed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP claimed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO claimed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 US claimed
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 ARG1 2810/4885ARG2 1542/4885SLC1A2 13/4885

“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.