SCHEMBL2234012

SCHEMBL2234012

CC(C)(C)OC(=O)N1CCCC(=Cc2ncn3c2CCc2ccncc2-3)C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.33
GABRA1 P14867 6/20 0.33
GABRG2 P18507 6/20 0.33
GABRB3 P28472 6/20 0.33
GABRA5 P31644 6/20 0.33
GABRA3 P34903 6/20 0.33
GABRA6 Q16445 6/20 0.33
CYP11B2 P19099 3/20 0.32
GABRA2 P47869 3/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRD4 O60885 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL2234009 1.00 BUB1 (0.33) BUB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2234771 0.89 NOTUM (0.36)
SCHEMBL2237173 0.86 KDM4E (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2233683 0.84 KDM4E (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2236285 0.84 NOTUM (0.38) ALDH1A1
SCHEMBL2234658 0.84 PDK1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2355410 0.83 DTYMK (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2235005 0.83 NOTUM (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2235353 0.82 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2233604 0.82 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 BUB1 4271/4885GABRA1 1783/4885GABRG2 2731/4885

“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.