SCHEMBL6155062

SCHEMBL6155062

CC(C)C1=C(Br)C(=O)OC1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.51
NFE2L2 Q16236 1/20 0.41
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6154193 0.82 CCKBR (0.64) CCKBRNFE2L2PSEN1PSEN2APH1B
SCHEMBL6154302 0.81 CCKBR (0.46) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL30104893 0.74 CCKBR (0.41) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL6153909 0.69 CCKBR (0.59) CCKBRNFE2L2PSEN1PSEN2APH1B
SCHEMBL28735046 0.69 ALDH1A1 (0.46) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL30104872 0.67 POLB (0.38) CCKBRALDH1A1LMNASMN1; SMN2
SCHEMBL6339854 0.67 CCKBR (0.44) CCKBRPSEN1PSEN2APH1BNCSTN
SCHEMBL30104874 0.66 CCKBR (0.59) CCKBRNFE2L2PSEN1PSEN2APH1B
SCHEMBL30104840 0.65 NR2E3 (0.37) CCKBRCTSBALDH1A1MAPTLMNA
SCHEMBL6153660 0.64 CASP1 (0.42) CCKBRNFE2L2PSEN1PSEN2APH1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924377-B2 Process for preparing highly functionalized γ-butyrolactams and γ-amino acids WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
EP-1499583-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS Warner-Lambert Company LLC (US) 2005-01-26 EP disclosed
US-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-25 US disclosed
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-04 US disclosed
WO-2003093220-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 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 (2 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-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 CCKBR 208/4885NFE2L2 3337/4885PSEN1 705/4885
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 CCKBR 208/4885NFE2L2 3337/4885PSEN1 705/4885

“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.