SCHEMBL3195587

SCHEMBL3195587

O=C(O)N1CCO[C@H](COc2ccccc2OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.54
PDK1 Q15118 3/20 0.51
HRH3 Q9Y5N1 3/20 0.47
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3195602 1.00 DRD4 (0.54) DRD4PDK1HRH3HSD17B10
SCHEMBL3187766 0.87 HRH3 (0.63) DRD4PDK1HRH3
SCHEMBL3187777 0.87 HRH3 (0.63) DRD4PDK1HRH3
Hydrochloric Acid SCHEMBL25394023 0.86 HRH3 (0.62) DRD4PDK1HRH3
Hydrochloric Acid SCHEMBL25394018 0.86 HRH3 (0.62) DRD4PDK1HRH3
SCHEMBL3182030 0.85 PDK1 (0.53) DRD4PDK1HRH3
SCHEMBL29877195 0.85 ALDH1A1 (0.54) DRD4PDK1HRH3
SCHEMBL3182045 0.85 PDK1 (0.53) DRD4PDK1HRH3
SCHEMBL17823745 0.85 PDK1 (0.49) DRD4PDK1HRH3
SCHEMBL971720 0.85 PDK1 (0.49) DRD4PDK1HRH3

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-7659394-B2 Substituted morpholine compounds for the treatment of central nervous system disorders PFIZER INC (US) 2010-02-09 US disclosed
CN-1950348-A Substituted morpholino compounds for the treatment of central nervous system disorders WARNER LAMBERT CO (US) 2007-04-18 CN disclosed
EP-1745029-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-01-24 EP disclosed
WO-2005105763-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
US-20050245519-A1 Substituted morpholine compounds for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-11-03 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-20050245519-A1 Substituted morpholine compounds for the treatment of central nervous system disorders CNR1, OPRM1, HCRTR1 DRD4 105/4885PDK1 4096/4885HRH3 279/4885

“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.