SCHEMBL4206196

SCHEMBL4206196

CCCCC(C)CC(=O)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.38
CYP17A1 P05093 1/20 0.35
AHR P35869 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SLC15A1 P46059 1/20 0.31
TBXA2R P21731 2/20 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
SCHEMBL4206193 1.00 TBXAS1 (0.38) TBXAS1CYP17A1AHRACE2KDM4E
SCHEMBL4199021 0.91 TBXAS1 (0.36) TBXAS1CYP17A1AHRKDM4E
SCHEMBL4199017 0.91 TBXAS1 (0.36) TBXAS1CYP17A1AHRKDM4E
SCHEMBL10605367 0.87 BLM (0.40) TBXAS1KDM4E
SCHEMBL4211623 0.84 TBXAS1 (0.35) TBXAS1AHRKDM4E
SCHEMBL15730995 0.84 TBXAS1 (0.35) TBXAS1AHRKDM4E
SCHEMBL4211619 0.84 TBXAS1 (0.35) TBXAS1AHRKDM4E
SCHEMBL27945626 0.82 TBXAS1 (0.36) TBXAS1CYP17A1AHR
SCHEMBL25635684 0.79 TBXAS1 (0.37) TBXAS1AHRKDM4E
SCHEMBL13092506 0.77 TBXAS1 (0.48) TBXAS1

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 TBXAS1 968/4885CYP17A1 3697/4885AHR 4304/4885

“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.