SCHEMBL5243442

SCHEMBL5243442

CN(CCOc1cccc2cc[nH]c12)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.55
PDK2 Q15119 1/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR1B P28222 2/20 0.36
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RBP4 P02753 1/20 0.35
PDPK1 O15530 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
BACE1 P56817 1/20 0.34
GBA1 P04062 1/20 0.34
HTR1D P28221 1/20 0.34

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
SCHEMBL3853276 0.81 HTR1A (0.48) PDK2KDM4EALDH1A1HTR1B
SCHEMBL5240875 0.78 HTR1B (0.58) BCHEKDM4EALDH1A1HTR1BSMN1; SMN2
SCHEMBL6196294 0.78 NR4A2 (0.39) BCHEPDK2KDM4EALDH1A1RBP4
SCHEMBL26563553 0.76 PDK2 (0.49) PDK2KDM4EALDH1A1SMN1; SMN2RBP4
SCHEMBL24553506 0.75 HTR7 (0.57) PDK2KDM4EALDH1A1SMN1; SMN2RBP4
SCHEMBL15076180 0.74 RBP4 (0.54) PDK2KDM4EALDH1A1SMN1; SMN2RBP4
SCHEMBL15058155 0.74 ALDH1A1 (0.51) PDK2KDM4EALDH1A1SMN1; SMN2RBP4
SCHEMBL5241474 0.74 PDK2 (0.42) PDK2KDM4EALDH1A1HTR1BSMN1; SMN2
SCHEMBL7476943 0.74 PDK2 (0.40) PDK2KDM4EALDH1A1
SCHEMBL5241856 0.74 HTR6 (0.47) BCHEPDK2KDM4EALDH1A1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP disclosed
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP disclosed
US-7084169-B2 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2006-08-01 US disclosed
EP-1569638-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
US-20040132799-A1 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2004-07-08 US disclosed
WO-2004050085-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 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-20040132799-A1 Aminoalkoxyindoles and methods of use HTR3C, HTR2C, CYP3A5 BCHE 745/4885PDK2 3137/4885KDM4E 881/4885

“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.