SCHEMBL5542875

SCHEMBL5542875

CC(C)(C)OC(=O)N1CCc2nc(C#N)ncc2C1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
GPR119 Q8TDV5 5/20 0.48
ESR2 Q92731 1/20 0.47
NR1H2 P55055 2/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PDGFRB P09619 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
ENPP2 Q13822 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
NSD2 O96028 1/20 0.39
GRAMD1A Q96CP6 1/20 0.39

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
SCHEMBL740206 0.90 DDB1 (0.53) MAPTGPR119ESR2NR1H2DDB1
SCHEMBL30378007 0.86 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL25574538 0.86 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL4869824 0.84 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL29757600 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL17183931 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL19475563 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL3530060 0.83 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL16836132 0.83 MAPT (0.55) MAPTGPR119ESR2NR1H2MAPK1
SCHEMBL18563805 0.82 MAPT (0.59) MAPTESR2NR1H2MAPK1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S MAPT 4390/4885GPR119 2654/4885ESR2 169/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 MAPT 4665/4885GPR119 3583/4885ESR2 2616/4885

“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.