SCHEMBL17686381

SCHEMBL17686381

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL29496240 0.83 MEN1 (0.40) SRCMEN1KMT2AGABRA1GABRG2
SCHEMBL17686389 0.82 GABRA1 (0.36) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL10724223 0.81 GABRA1 (0.46) MEN1KMT2AL3MBTL1GABRA1GABRG2
SCHEMBL2874465 0.81 GABRA1 (0.46) MEN1KMT2AL3MBTL1GABRA1GABRG2
SCHEMBL1900990 0.81 GABRA1 (0.46) MEN1KMT2AL3MBTL1GABRA1GABRG2
SCHEMBL2239739 0.81 MEN1 (0.38) SRCMEN1KMT2AL3MBTL1GLA
SCHEMBL25323350 0.80 NR1H2 (0.48) SRCNR1H2
SCHEMBL9918105 0.80 NR1H2 (0.48) SRCNR1H2
SCHEMBL25323352 0.80 NR1H2 (0.48) SRCNR1H2
SCHEMBL12606502 0.80 PDE8B (0.43) MEN1KMT2AGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
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 SRC 2427/4885MEN1 3047/4885KMT2A 2998/4885

“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.