SCHEMBL3623314

SCHEMBL3623314

CC(C)(C)OC(=O)N1Cc2nc(C(F)(F)F)[nH]c2C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
HDAC4 P56524 1/20 0.36
NR1H2 P55055 1/20 0.36
PARP1 P09874 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
C5AR1 P21730 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MTOR P42345 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
SCHEMBL4761529 0.88 PARP1 (0.41) DPP4DPP8DPP9DDB1CRBN
SCHEMBL2191982 0.82 DDB1 (0.38) DDB1CRBNNR1H2PARP1TNKS2
SCHEMBL3620603 0.80 DPP4 (0.40) DPP4DPP8DPP9PARP1SMN1; SMN2
SCHEMBL17380325 0.78 PARP1 (0.42) DDB1CRBNNR1H2PARP1TNKS2
SCHEMBL17380078 0.78 DDB1 (0.36) DDB1CRBNNR1H2PARP1TNKS2
SCHEMBL17380144 0.77 DDB1 (0.42) DDB1CRBNPARP1TNKS2PARP2
SCHEMBL17380077 0.77 GPR119 (0.36) DDB1CRBNNR1H2PARP1TNKS2
SCHEMBL17380327 0.77 GPR119 (0.39) DDB1CRBNNR1H2PARP1TNKS2
SCHEMBL17380695 0.77 NR1H2 (0.41) DDB1CRBNNR1H2PARP1TNKS2
SCHEMBL17380690 0.76 DDB1 (0.39) DDB1CRBNNR1H2PARP1TNKS2

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
EP-1978804-B1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2014-07-30 EP disclosed
US-7750034-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 2009-10-29 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-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP8 4/4885DPP9 5/4885

“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.