SCHEMBL3466461

SCHEMBL3466461

COC(=O)c1cccc(C2=CCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.44
NR1H2 P55055 1/20 0.44
GRM1 Q13255 10/20 0.42
GRM5 P41594 10/20 0.42
NAMPT P43490 1/20 0.41
PDE10A Q9Y233 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK1 P23458 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL9933253 0.89 NR1H2 (0.47) PDK4NR1H2GRM1GRM5NAMPT
SCHEMBL12537886 0.89 GRM1 (0.55) PDK4GRM1GRM5NAMPTPDE10A
SCHEMBL3466674 0.88 GRM1 (0.46) PDK4GRM1GRM5NAMPT
SCHEMBL24793344 0.84 GRM1 (0.39) PDK4NR1H2GRM1GRM5NAMPT
SCHEMBL20140715 0.83 PDK4 (0.47) PDK4GRM1GRM5NAMPTGPR119
SCHEMBL31589595 0.83 GRM1 (0.43) PDK4NR1H2GRM1GRM5NAMPT
SCHEMBL31589298 0.83 GRM1 (0.43) PDK4NR1H2GRM1GRM5NAMPT
SCHEMBL28930727 0.82 PDK4 (0.47) PDK4NR1H2GRM1GRM5NAMPT
SCHEMBL3466802 0.82 GRM1 (0.57) PDK4GRM1GRM5NAMPTPDE10A
SCHEMBL24793335 0.81 PDK4 (0.45) PDK4GRM1GRM5NAMPTPDE10A

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 4 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
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 PDK4 1267/4885NR1H2 733/4885GRM1 82/4885

“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.