SCHEMBL5899650

SCHEMBL5899650

COCCC1CC1(CN)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
GRM4 Q14833 5/20 0.32
GRM8 O00222 3/20 0.32
GRM6 O15303 2/20 0.32
GRM2 Q14416 2/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5899569 0.90 ALDH1A1 (0.34) SLC6A2SLC6A4
SCHEMBL5899625 0.82 GRM2 (0.32) GRM4GRM8GRM6GRM2GRM5
SCHEMBL5899581 0.80 GRM2 (0.33) GRM4GRM8GRM2GRM5GRM1
Hydrochloric Acid SCHEMBL4408336 0.79 ARG1 (0.31)
SCHEMBL5899762 0.77 ARG1 (0.34) SLC6A2SLC6A4GRM2GRM5GRM1
SCHEMBL3546456 0.76 GRM2 (0.35) SLC6A2SLC6A4GRM4GRM8GRM6
SCHEMBL5899794 0.75 TAAR1 (0.43) MEN1KMT2A
SCHEMBL5899606 0.73 CPB2 (0.31)
SCHEMBL5899630 0.73 EPHX2 (0.42) SLC6A2SLC6A4GRM5MEN1KMT2A
SCHEMBL5899644 0.71 GRM2 (0.32) SLC6A2GRM4GRM6GRM2GRM5

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 SLC6A2 328/4885SLC6A4 247/4885GRM4 215/4885

“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.