SCHEMBL4197875

SCHEMBL4197875

CCCC[C@@H](C)C/C(N)=C\C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
SLC15A1 P46059 1/20 0.35
ALOX15 P16050 1/20 0.34
ATM Q13315 2/20 0.33
ACE2 Q9BYF1 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BIRC2 Q13490 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
SCHEMBL4195630 1.00 NPSR1 (0.40) NPSR1CA1CA2TSHRMAPT
SCHEMBL4195633 1.00 NPSR1 (0.40) NPSR1CA1CA2TSHRMAPT
SCHEMBL4195629 1.00 NPSR1 (0.40) NPSR1CA1CA2TSHRMAPT
SCHEMBL4205642 0.90 NPSR1 (0.42) NPSR1TSHRMAPTRAB9AALOX15
SCHEMBL4205647 0.90 NPSR1 (0.42) NPSR1TSHRMAPTRAB9AALOX15
SCHEMBL4205643 0.90 NPSR1 (0.42) NPSR1TSHRMAPTRAB9AALOX15
SCHEMBL4209647 0.90 NPSR1 (0.42) NPSR1TSHRMAPTRAB9AALOX15
SCHEMBL4199779 0.83 NPSR1 (0.44) NPSR1CA1CA2MAPTALOX15
SCHEMBL4199787 0.83 NPSR1 (0.44) NPSR1CA1CA2MAPTALOX15
SCHEMBL4199790 0.83 NPSR1 (0.44) NPSR1CA1CA2MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US claimed
EP-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP claimed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 WO claimed
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 US disclosed
EP-1768952-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Warner-Lambert Company LLC (US) 2007-04-04 EP disclosed
WO-2006008612-A2 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2006-01-26 WO 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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 NPSR1 1807/4885CA1 646/4885CA2 106/4885

“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.