SCHEMBL5511380

SCHEMBL5511380

COc1ccc([N+](=O)[O-])cc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.50
GRM1 Q13255 8/20 0.48
GRM5 P41594 7/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTR6 P50406 1/20 0.44
JAK1 P23458 1/20 0.44
CNR1 P21554 1/20 0.43
NAMPT P43490 1/20 0.43
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL282496 0.92 PDK4 (0.50) PDK4GRM1GRM5ALDH1A1LMNA
SCHEMBL6365955 0.88 PDK4 (0.52) PDK4GRM1GRM5ALDH1A1LMNA
SCHEMBL17054290 0.87 PDK4 (0.51) PDK4GRM1GRM5ALDH1A1LMNA
SCHEMBL31630903 0.87 PDK4 (0.51) PDK4GRM1GRM5ALDH1A1LMNA
SCHEMBL5004734 0.87 PDK4 (0.51) PDK4GRM1GRM5ALDH1A1LMNA
SCHEMBL5511826 0.86 QDPR (0.43) ALDH1A1LMNAMAPT
SCHEMBL5511829 0.86 QDPR (0.43) ALDH1A1LMNAMAPT
SCHEMBL522085 0.85 PDK4 (0.52) PDK4GRM1GRM5ALDH1A1LMNA
SCHEMBL29864873 0.85 PDK4 (0.52) PDK4GRM1GRM5ALDH1A1LMNA
SCHEMBL10036179 0.84 PDK4 (0.51) PDK4GRM1GRM5ALDH1A1LMNA

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
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 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 (3 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-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R PDK4 1779/4885GRM1 88/4885GRM5 180/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R PDK4 1779/4885GRM1 88/4885GRM5 180/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R PDK4 1779/4885GRM1 88/4885GRM5 180/4885

“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.