SCHEMBL4199095

SCHEMBL4199095

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nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
FFAR1 O14842 1/20 0.33
MME P08473 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 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
SCHEMBL6067690 0.87 ALDH1A1 (0.32) ALDH1A1LMNAADRA1A
SCHEMBL4196721 0.87 ALDH1A1 (0.32) ALDH1A1LMNAADRA1A
SCHEMBL4197904 0.84 GPR84 (0.37) LMNA
SCHEMBL27627837 0.83 ALDH1A1 (0.36) ALDH1A1MMELMNASMN1; SMN2
SCHEMBL4193460 0.82 MGAM (0.34) ALDH1A1
SCHEMBL30007256 0.78 MMP12 (0.38) FFAR1LMNASMN1; SMN2CACNA2D1CACNB3
SCHEMBL13827905 0.78 MMP12 (0.38) FFAR1LMNASMN1; SMN2CACNA2D1CACNB3
Hydrochloric Acid SCHEMBL30537964 0.77 MMP12 (0.37) FFAR1LMNASMN1; SMN2CACNA2D1CACNB3
SCHEMBL7045377 0.76 ALDH1A1 (0.36) ALDH1A1MMELMNASMN1; SMN2
SCHEMBL7045383 0.76 ALDH1A1 (0.36) ALDH1A1MMELMNASMN1; SMN2

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 3 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 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 ALDH1A1 1839/4885FFAR1 1056/4885MME 3984/4885

“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.