SCHEMBL17686389

SCHEMBL17686389

CCOC(=O)CC1CCC(C)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
FKBP1A P62942 1/20 0.32

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
SCHEMBL17686381 0.82 SRC (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2241744 0.78 THRB (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2244928 0.78 THRB (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL25322253 0.75 POLB (0.41) POLBKMT2AALDH1A1LMNAMEN1
SCHEMBL17892791 0.75 POLB (0.41) POLBKMT2AALDH1A1LMNAMEN1
SCHEMBL9895421 0.75 POLB (0.41) POLBKMT2AALDH1A1LMNAMEN1
SCHEMBL6033119 0.74 GAA (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6034101 0.74 GAA (0.34) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9900151 0.74 KDM4E (0.33) ALDH1A1KDM4ELMNA
SCHEMBL69766 0.73 GAA (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2

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-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 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-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 GABRA1 35/4885GABRG2 150/4885GABRB3 87/4885

“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.