SCHEMBL4199021

SCHEMBL4199021

CCCC(C)CC(=O)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.36
AHR P35869 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP17A1 P05093 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
EGLN3 Q9H6Z9 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
SCHEMBL4199017 1.00 TBXAS1 (0.36) TBXAS1AHRKDM4EALDH1A1CYP17A1
SCHEMBL4206196 0.91 TBXAS1 (0.38) TBXAS1AHRKDM4ECYP17A1
SCHEMBL4206193 0.91 TBXAS1 (0.38) TBXAS1AHRKDM4ECYP17A1
SCHEMBL4211619 0.87 TBXAS1 (0.35) TBXAS1AHRKDM4EALDH1A1KMT2A
SCHEMBL4211623 0.87 TBXAS1 (0.35) TBXAS1AHRKDM4EALDH1A1KMT2A
SCHEMBL15730995 0.87 TBXAS1 (0.35) TBXAS1AHRKDM4EALDH1A1KMT2A
SCHEMBL10605367 0.83 BLM (0.40) TBXAS1KDM4ELMNA
SCHEMBL25635684 0.81 TBXAS1 (0.37) TBXAS1AHRKDM4EALDH1A1KMT2A
SCHEMBL13102475 0.77 TBXAS1 (0.38) TBXAS1AHRKDM4EALDH1A1KMT2A
SCHEMBL30935682 0.77 FAAH (0.35) TBXAS1AHRKDM4EALDH1A1CYP17A1

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
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 968/4885AHR 4304/4885KDM4E 4527/4885

“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.