SCHEMBL660978

SCHEMBL660978

CNC(=O)C1CN(C(=O)OC(C)(C)C)CCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDK1 Q15118 2/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
NR1H2 P55055 1/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37
GRIN2B Q13224 1/20 0.37
STS P08842 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL31049519 1.00 USP2 (0.50) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL25046592 0.92 MAPT (0.47) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL8285377 0.87 USP2 (0.49) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL23210396 0.87 USP2 (0.49) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL2810123 0.85 EPHX1 (0.48) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL1439935 0.84 PDK1 (0.59) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL25630738 0.84 PDK1 (0.59) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL194709 0.84 USP2 (0.54) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL194710 0.84 USP2 (0.54) USP2SMN1; SMN2PDK1RECQLMAPT
SCHEMBL13765388 0.84 USP2 (0.54) USP2SMN1; SMN2PDK1RECQLMAPT

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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 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 (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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR USP2 4245/4885SMN1; SMN2 4878/4885PDK1 2294/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR USP2 4245/4885SMN1; SMN2 4878/4885PDK1 2294/4885

“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.