SCHEMBL5241503

SCHEMBL5241503

CC(C)(C)OC(=O)N1CCC(Oc2cccc3cc[nH]c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
BCHE P06276 1/20 0.51
GPR119 Q8TDV5 9/20 0.50
BRD4 O60885 1/20 0.49
PDE4B Q07343 3/20 0.47
PDE4D Q08499 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL3934713 0.83 GPR119 (0.55) KDM1AGPR119BRD4PDE4BPDE4D
SCHEMBL5201407 0.82 IDO1 (0.54) BCHEGPR119IDO1
SCHEMBL30393170 0.82 IDO1 (0.54) BCHEGPR119IDO1
SCHEMBL5454387 0.81 GPR119 (0.57) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL19297086 0.81 BRD4 (0.53) KDM1AGPR119BRD4PDE4BPDE4D
SCHEMBL19402410 0.78 KDM1A (0.58) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL5205461 0.78 IDO1 (0.48) BCHEGPR119IDO1
SCHEMBL30885785 0.78 IDO1 (0.48) BCHEGPR119IDO1
SCHEMBL3805418 0.78 KDM1A (0.53) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL21765007 0.77 KDM1A (0.57) KDM1AGPR119PDE4BPDE4DPDE4A

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
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 KDM1A 929/4885BCHE 745/4885GPR119 836/4885

“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.