SCHEMBL4202158

SCHEMBL4202158

CCC[C@@H](C)C[C@@H](CC(=O)O)N(Cc1ccccc1)C(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FFAR1 O14842 1/20 0.36
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.35
RIPK1 Q13546 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4202161 1.00 GPR88 (0.38) GPR88POLBMEN1KMT2AFFAR1
SCHEMBL4205633 0.93 POLB (0.40) POLBMEN1KMT2AFFAR1
SCHEMBL4205630 0.93 POLB (0.40) POLBMEN1KMT2AFFAR1
SCHEMBL4192242 0.91 FFAR1 (0.42) MEN1KMT2AFFAR1LMNAALOX5
SCHEMBL4192246 0.91 FFAR1 (0.42) MEN1KMT2AFFAR1LMNAALOX5
SCHEMBL4192216 0.87 ALDH1A1 (0.40) GPR88POLBMEN1KMT2ALMNA
SCHEMBL4192209 0.87 ALDH1A1 (0.40) GPR88POLBMEN1KMT2ALMNA
SCHEMBL5188655 0.87 ALDH1A1 (0.40) GPR88POLBMEN1KMT2ALMNA
SCHEMBL2847080 0.85 POLB (0.43) POLBMEN1KMT2A
SCHEMBL20212169 0.85 POLB (0.43) POLBMEN1KMT2A

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 1 patent. 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

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 GPR88 1236/4885POLB 2428/4885MEN1 2322/4885

“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.