SCHEMBL5899745

SCHEMBL5899745

NCC1(C(=O)O)CC1CCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.37
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
CYP2D6 P10635 1/20 0.37
METAP1 P53582 1/20 0.37
GRM2 Q14416 3/20 0.36
ALOX5 P09917 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
ARG1 P05089 1/20 0.35
GRM3 Q14832 2/20 0.35
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL5899806 0.85 CYP2D6 (0.38) SLC1A3SLC1A2SLC1A1CYP2D6GRM2
SCHEMBL5899807 0.75 PLG (0.35) SLC1A3SLC1A2SLC1A1GRM2ARG1
SCHEMBL5899581 0.75 GRM2 (0.33) GRM2
SCHEMBL5899762 0.72 ARG1 (0.34) SLC1A2GRM2ALOX5ARG1
SCHEMBL5899650 0.71 SLC6A2 (0.33) GRM2
SCHEMBL3546456 0.71 GRM2 (0.35) CYP2D6GRM2
SCHEMBL5899790 0.70 ALDH1A1 (0.36) SLC1A3SLC1A2SLC1A1CYP2D6GRM2
SCHEMBL5899796 0.70 ALDH1A1 (0.36) SLC1A3SLC1A2SLC1A1CYP2D6GRM2
SCHEMBL5899606 0.69 CPB2 (0.31)
SCHEMBL5899569 0.69 ALDH1A1 (0.34) ARG1

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 10 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
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 SLC1A3 53/4885SLC1A2 13/4885SLC1A1 33/4885

“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.