SCHEMBL390557

SCHEMBL390557

CC(C)(C)Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)no1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
ACHE P22303 2/20 0.44
GPR119 Q8TDV5 8/20 0.44
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 2/20 0.41
HDAC4 P56524 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
SCHEMBL386442 0.89 EPHA2 (0.46) EPHA2KDREPHB4ACHEGPR119
SCHEMBL391002 0.88 EPHA2 (0.47) EPHA2KDREPHB4ACHEGPR119
SCHEMBL18282510 0.86 EPHA2 (0.51) EPHA2KDREPHB4ACHEGPR119
SCHEMBL907019 0.84 EPHA2 (0.47) EPHA2KDREPHB4ACHEGPR119
SCHEMBL14991092 0.82 GPR119 (0.47) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL388598 0.81 HDAC4 (0.48) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL28552685 0.79 HDAC4 (0.60) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL16197362 0.79 GPR119 (0.46) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL10297496 0.78 GPR119 (0.55) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL11956922 0.76 GPR119 (0.45) EPHA2KDREPHB4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C EPHA2 4077/4885KDR 2104/4885EPHB4 4012/4885

“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.