SCHEMBL3552893

SCHEMBL3552893

CN(C)CCN1CCNCC(C)(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.33
PTK2B Q14289 1/20 0.33
ESR2 Q92731 1/20 0.33
DAO P14920 1/20 0.32

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
SCHEMBL3546210 0.79 CACNA1H (0.37) ALDH1A1MAPTKDM4EPDE4APDE4B
SCHEMBL3546208 0.74 KDM4E (0.33) ALDH1A1MAPTKDM4ELMNAPTK2B
SCHEMBL4012731 0.73 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ELMNAPTK2B
SCHEMBL2657327 0.72 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ELMNAPTK2B
Hydrochloric Acid SCHEMBL28343857 0.72 ALDH1A1 (0.35) ALDH1A1MAPTKDM4ELMNAPTK2B
SCHEMBL26099247 0.71 RET (0.47) ALDH1A1MAPTKDM4ELMNAPTK2B
SCHEMBL2185862 0.68 PLA2G7 (0.47) ALDH1A1MAPTKDM4ELMNAPTK2B
SCHEMBL27046420 0.67 PDE4A (0.35) ALDH1A1PDE4APDE4BPDE4CPDE4D
Oxalic Acid SCHEMBL2930390 0.67 KMT2A (0.35) ALDH1A1MAPTKDM4ELMNAPTK2B
SCHEMBL21257604 0.66 DAO (0.32) ALDH1A1MAPTDAO

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-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 ALDH1A1 2027/4885MAPT 348/4885KDM4E 1734/4885

“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.