SCHEMBL4205643

SCHEMBL4205643

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nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
ALOX15 P16050 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4205642 1.00 NPSR1 (0.42) NPSR1ALOX15HCAR2TSHRMAPT
SCHEMBL4209647 1.00 NPSR1 (0.42) NPSR1ALOX15HCAR2TSHRMAPT
SCHEMBL4205647 1.00 NPSR1 (0.42) NPSR1ALOX15HCAR2TSHRMAPT
SCHEMBL4195633 0.90 NPSR1 (0.40) NPSR1ALOX15HCAR2TSHRMAPT
SCHEMBL4195629 0.90 NPSR1 (0.40) NPSR1ALOX15HCAR2TSHRMAPT
SCHEMBL4197875 0.90 NPSR1 (0.40) NPSR1ALOX15HCAR2TSHRMAPT
SCHEMBL4195630 0.90 NPSR1 (0.40) NPSR1ALOX15HCAR2TSHRMAPT
SCHEMBL4199787 0.86 NPSR1 (0.44) NPSR1ALOX15HCAR2MAPTALDH1A1
SCHEMBL4199779 0.86 NPSR1 (0.44) NPSR1ALOX15HCAR2MAPTALDH1A1
SCHEMBL4199790 0.86 NPSR1 (0.44) NPSR1ALOX15HCAR2MAPTALDH1A1

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 4 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

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 1807/4885ALOX15 3409/4885HCAR2 1055/4885

“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.