SCHEMBL5220499

SCHEMBL5220499

CC(C)(C)OC(=O)NC1CCN(c2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.53
SUV39H2 Q9H5I1 5/20 0.51
CTSK P43235 2/20 0.47
KCNA3 P22001 1/20 0.47
TRPA1 O75762 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
RET P07949 1/20 0.46
CHRM4 P08173 1/20 0.46
DRD2 P14416 1/20 0.46
AR P10275 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
NSD2 O96028 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL25597599 0.94 SUV39H2 (0.57) KDM4DSUV39H2CTSKTRPA1GPR119
SCHEMBL24508096 0.88 AR (0.51) SUV39H2CTSKKCNA3RETAR
SCHEMBL29663762 0.88 AR (0.51) SUV39H2CTSKKCNA3RETAR
SCHEMBL28489283 0.87 AR (0.52) SUV39H2CTSKKCNA3RETDRD2
SCHEMBL5115646 0.86 CTSK (0.50) KDM4DSUV39H2CTSKKCNA3AAK1
SCHEMBL21397261 0.84 SUV39H2 (0.51) KDM4DSUV39H2DRD2CKS1BSKP1
SCHEMBL21360311 0.83 RET (0.49) KDM4DSUV39H2CTSKKCNA3AAK1
SCHEMBL5202966 0.82 CTSK (0.53) KDM4DSUV39H2CTSKKCNA3GPR119
SCHEMBL30711963 0.82 KDM4D (0.48) KDM4DSUV39H2KCNA3TRPA1GPR119
SCHEMBL29998781 0.82 KDM1A (0.50) KDM4DSUV39H2KCNA3GPR119AAK1

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
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 US disclosed
EP-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 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 (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-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 KDM4D 489/4885SUV39H2 940/4885CTSK 174/4885

“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.