SCHEMBL5899644

SCHEMBL5899644

CC(C)CC1CC1(CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.32
GRM5 P41594 2/20 0.32
GRM1 Q13255 2/20 0.32
SLC6A2 P23975 1/20 0.32
MME P08473 1/20 0.30
GRM6 O15303 1/20 0.30
GRM3 Q14832 1/20 0.30
GRM4 Q14833 1/20 0.30

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
Hydrochloric Acid SCHEMBL5641563 0.98 GRM2 (0.32) GRM2GRM5GRM1SLC6A2
SCHEMBL5899729 0.84 CPB2 (0.33)
SCHEMBL5899643 0.82 BLM (0.40)
SCHEMBL5899724 0.82 CPB2 (0.32)
SCHEMBL5899637 0.79 MAPT (0.35)
SCHEMBL3546456 0.79 GRM2 (0.35) GRM2GRM5GRM1SLC6A2GRM6
SCHEMBL5899684 0.78 ALOX15 (0.31)
SCHEMBL5899581 0.76 GRM2 (0.33) GRM2GRM5GRM1GRM4
SCHEMBL5899728 0.75 BLM (0.42)
SCHEMBL5899735 0.75 SLC6A2 (0.34) GRM2GRM5GRM1SLC6A2

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 GRM2 153/4885GRM5 307/4885GRM1 202/4885

“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.