SCHEMBL3828648

SCHEMBL3828648

O=C(O)N1CCN(C2CC(OCc3ccccc3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HRH3 Q9Y5N1 2/20 0.44
AGTR2 P50052 2/20 0.44
ACHE P22303 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
BCHE P06276 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BDKRB2 P30411 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
SCHEMBL3828650 1.00 KDM4E (0.47) KDM4EALDH1A1HRH3AGTR2ACHE
SCHEMBL13568031 0.84 GPR119 (0.47) KDM4EACHESMN1; SMN2
SCHEMBL21906848 0.84 GPR119 (0.47) KDM4EACHESMN1; SMN2
SCHEMBL21906846 0.84 GPR119 (0.47) KDM4EACHESMN1; SMN2
SCHEMBL20120400 0.80 BCHE (0.49) KDM4EALDH1A1HRH3BCHE
SCHEMBL20120398 0.80 BCHE (0.49) KDM4EALDH1A1HRH3BCHE
SCHEMBL20594278 0.80 SIGMAR1 (0.53) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21920972 0.80 SIGMAR1 (0.53) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30509 0.80 MAPT (0.51) KDM4EALDH1A1GRIN2BCTSLCTSB
SCHEMBL25394427 0.80 CTSL (0.45) ALDH1A1HRH3AGTR2GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 KDM4E 1716/4885ALDH1A1 1990/4885HRH3 3084/4885

“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.