SCHEMBL3546210

SCHEMBL3546210

CN(C)CCN1CCNC(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
PTK2B Q14289 1/20 0.35
ESR2 Q92731 1/20 0.35
DAO P14920 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TERT O14746 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL3546208 0.84 KDM4E (0.33) KDM4EALDH1A1MAPTLMNAPTK2B
SCHEMBL3552893 0.79 ALDH1A1 (0.35) KDM4EALDH1A1MAPTLMNAPTK2B
SCHEMBL3546635 0.79 CACNA1H (0.39) CACNA1HKDM4EALDH1A1MAPTLMNA
SCHEMBL3542513 0.75 OPRM1 (0.40) KDM4EALDH1A1MAPTLMNAOPRM1
SCHEMBL26099247 0.74 RET (0.47) KDM4EALDH1A1MAPTLMNAPTK2B
SCHEMBL3545618 0.73 TSHR (0.43) CACNA1HKDM4EALDH1A1DAO
SCHEMBL3543230 0.73 CACNA1H (0.36) CACNA1HKDM4EALDH1A1MAPTLMNA
SCHEMBL3547090 0.73 CACNA1H (0.36) CACNA1HALDH1A1PDE4APDE4BPDE4C
SCHEMBL4012731 0.70 ALDH1A1 (0.36) KDM4EALDH1A1MAPTLMNAPTK2B
SCHEMBL3553474 0.70 KMT2A (0.47) CACNA1HKDM4EALDH1A1LMNA

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
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
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 CACNA1H 4873/4885KDM4E 1734/4885ALDH1A1 2027/4885

“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.