SCHEMBL5899776

SCHEMBL5899776

NCC1(C(=O)O)CC1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.34
GRM1 Q13255 3/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PEPD P12955 1/20 0.32
GRM5 P41594 4/20 0.31
GRM2 Q14416 4/20 0.31
GRM6 O15303 2/20 0.31
GRM4 Q14833 2/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL5899763 0.96 GRM1 (0.33) ARG1GRM1USP2ALDH1A1LMNA
SCHEMBL5899796 0.94 ALDH1A1 (0.36) ARG1GRM1USP2ALDH1A1LMNA
SCHEMBL5899790 0.94 ALDH1A1 (0.36) ARG1GRM1USP2ALDH1A1LMNA
SCHEMBL5899620 0.92 GRM1 (0.39) GRM1USP2ALDH1A1LMNACYP1A2
SCHEMBL5382165 0.69 CYP1A2 (0.55) ARG1USP2ALDH1A1LMNACYP1A2
SCHEMBL14559594 0.69 CYP1A2 (0.55) ARG1USP2ALDH1A1LMNACYP1A2
SCHEMBL14559590 0.69 CYP1A2 (0.55) ARG1USP2ALDH1A1LMNACYP1A2
SCHEMBL5323367 0.69
Hydrochloric Acid SCHEMBL5381205 0.68 CYP1A2 (0.53) ARG1USP2ALDH1A1LMNACYP1A2
SCHEMBL5899806 0.66 CYP2D6 (0.38) ARG1GRM1USP2ALDH1A1LMNA

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 2810/4885GRM1 202/4885USP2 3632/4885

“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.