SCHEMBL5899807

SCHEMBL5899807

NCC1(C(=O)O)CC1CC1CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
GRM2 Q14416 2/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
ARG1 P05089 2/20 0.31
GRM4 Q14833 5/20 0.31
GRM8 O00222 3/20 0.31
GRM6 O15303 2/20 0.31
ARG2 P78540 1/20 0.31
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
SCHEMBL5899806 0.91 CYP2D6 (0.38) LMNAGRM2GRM5GRM1ARG1
SCHEMBL3546456 0.76 GRM2 (0.35) GRM2GRM5GRM1GRM4GRM8
SCHEMBL5899745 0.75 SLC1A3 (0.37) GRM2ARG1SLC1A3SLC1A2SLC1A1
SCHEMBL5899581 0.73 GRM2 (0.33) GRM2GRM5GRM1GRM4GRM8
SCHEMBL5899625 0.72 GRM2 (0.32) GRM2GRM5GRM1GRM4GRM8
SCHEMBL5899644 0.72 GRM2 (0.32) GRM2GRM5GRM1GRM4GRM6
SCHEMBL5899603 0.70 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL5899762 0.70 ARG1 (0.34) GRM2GRM5GRM1ARG1ARG2
Hydrochloric Acid SCHEMBL5641563 0.70 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL5899650 0.69 SLC6A2 (0.33) GRM2GRM5GRM1GRM4GRM8

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 PLG 4768/4885PLAT 4843/4885LMNA 3359/4885

“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.