SCHEMBL3466802

SCHEMBL3466802

CC(C)(C)OC(=O)c1cccc(C2=CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.57
GRM5 P41594 11/20 0.57
PDK4 Q16654 1/20 0.54
NAMPT P43490 1/20 0.48
HTR6 P50406 1/20 0.46
TNK2 Q07912 1/20 0.45
JAK1 P23458 1/20 0.45
PDE10A Q9Y233 1/20 0.44
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL12537886 0.93 GRM1 (0.55) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL17837639 0.91 GRM1 (0.57) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL29150145 0.91 GRM1 (0.57) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL30308912 0.91 GRM1 (0.64) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL9111083 0.91 GRM1 (0.52) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL23362181 0.86 GRM1 (0.59) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL4299295 0.86 HTR1A (0.43) GRM1GRM5PDK4
SCHEMBL16544582 0.86 GRM5 (0.59) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL29664333 0.86 GRM1 (0.59) GRM1GRM5PDK4NAMPTHTR6
SCHEMBL5337540 0.85 GRM1 (0.58) GRM1GRM5PDK4NAMPTHTR6

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-2265600-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS Pfizer Inc. (US) 2010-12-29 EP disclosed
WO-2009098576-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS PFIZER INC. (US) 2009-08-13 WO disclosed
WO-2009098576-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS PFIZER INC. (US) 2009-08-13 WO disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders HTR6, HTR5A, TPH1 GRM1 82/4885GRM5 60/4885PDK4 1267/4885

“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.