SCHEMBL5899749

SCHEMBL5899749

NCC1(C(=O)O)CC1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.40
CPB2 Q96IY4 1/20 0.40
GRM6 O15303 1/20 0.38
SLC6A2 P23975 7/20 0.37
GRM2 Q14416 2/20 0.37
CTSC P53634 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A3 Q01959 3/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM3 Q14832 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5899772 0.86 TRPA1 (0.43) GRM2GRM3
SCHEMBL5899610 0.84 SLC1A1 (0.41) SLC6A4SLC6A2GRM2HTR2CGRM3
SCHEMBL5899802 0.84 SLC1A2 (0.42) SLC6A4GRM6SLC6A2GRM2SLC6A3
SCHEMBL15106111 0.83 ALDH1A1 (0.38) SLC6A4SLC6A2CTSCHPGDSLC6A3
SCHEMBL31015736 0.80 TRPA1 (0.41) CPB2HPGDCYP2D6ALDH1A1
SCHEMBL5899706 0.80 TAAR1 (0.39) CPB2ALDH1A1MAOB
SCHEMBL5899789 0.80 TSHR (0.39) SLC6A4CPB2CYP2D6ALDH1A1
SCHEMBL5899686 0.80 GRM2 (0.34) GRM2GRM3
SCHEMBL5899618 0.78 EPHX1 (0.35) SLC6A4SLC6A2GRM2GRM3MAOB
SCHEMBL5899630 0.78 EPHX2 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6

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
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 SLC6A4 247/4885CPB2 1956/4885GRM6 412/4885

“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.