SCHEMBL4378153

SCHEMBL4378153

CCCC[C@@H](C)C[C@@H](C#N)CC(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
FAAH O00519 1/20 0.32
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 4/20 0.31
TRPA1 O75762 1/20 0.31
KMT2A Q03164 2/20 0.31
ALOX15 P16050 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL4386578 1.00 RECQL (0.33) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL4377165 1.00 RECQL (0.33) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL4375843 0.91 MGAM (0.34) TSHRCYP3A4TDP1MGAMGAA
SCHEMBL4972104 0.91 MGAM (0.34) TSHRCYP3A4TDP1MGAMGAA
SCHEMBL4377130 0.91 MGAM (0.34) TSHRCYP3A4TDP1MGAMGAA
SCHEMBL4380443 0.91 MGAM (0.34) TSHRCYP3A4TDP1MGAMGAA
SCHEMBL4385798 0.84 GAA (0.36) TSHRCYP3A4TDP1MGAMGAA
SCHEMBL4386597 0.84 GAA (0.36) TSHRCYP3A4TDP1MGAMGAA
SCHEMBL4392181 0.84 GAA (0.36) TSHRCYP3A4TDP1MGAMGAA
SCHEMBL4375315 0.83 MGAM (0.35) TSHRCYP3A4TDP1MGAMGAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US claimed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP claimed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO claimed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 US claimed
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US disclosed
EP-2017259-A2 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein Pfizer Products Inc. (US) 2009-01-21 EP disclosed
EP-1973867-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pfizer Products Inc. (US) 2008-10-01 EP disclosed
WO-2007072159-A1 PREPARATION OF GAMMA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein PFIZER INC 2007-06-21 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 (2 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-20070141684-A1 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein SCN2A, CACNG2, SCN1A RECQL 3774/4885TSHR 3280/4885CYP3A4 4080/4885
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A RECQL 3774/4885TSHR 3280/4885CYP3A4 4080/4885

“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.