SCHEMBL2797150

SCHEMBL2797150

CC(=O)N(C)Oc1cccc2c1ccc(=O)n2CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.45
SLC2A1 P11166 3/20 0.39
MCHR1 Q99705 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Hydrochloric Acid SCHEMBL2796190 0.99 KCNH2 (0.45) KCNH2SLC2A1MCHR1SMN1; SMN2
SCHEMBL12000108 0.88 KCNH2 (0.53) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL2796081 0.87 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL13264459 0.86 KCNH2 (0.50) KCNH2SLC2A1
SCHEMBL2797361 0.86 KCNH2 (0.47) KCNH2SLC2A1MCHR1SMN1; SMN2
SCHEMBL2797153 0.85 KCNH2 (0.47) KCNH2SLC2A1MCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL2796093 0.85 KCNH2 (0.46) KCNH2SLC2A1MCHR1SMN1; SMN2
Hydrochloric Acid SCHEMBL2796186 0.85 KCNH2 (0.46) KCNH2SLC2A1MCHR1SMN1; SMN2
SCHEMBL12000206 0.84 KDM4E (0.48) KCNH2SLC2A1MCHR1SMN1; SMN2
SCHEMBL12000223 0.84 KCNH2 (0.46) KCNH2SLC2A1

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
EP-2204365-A1 ALKYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-07-07 EP disclosed
US-20100168136-A1 ALKYLSULFONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-07-01 US 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-20100168136-A1 ALKYLSULFONE DERIVATIVES BACE1, APP, AMY1A KCNH2 935/4885SLC2A1 2386/4885MCHR1 3108/4885

“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.