SCHEMBL4879856

SCHEMBL4879856

CC(C)(C)OC(=O)N1CC=C(c2cn(C(=O)OC(C)(C)C)c3ncccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.56
GRM5 P41594 11/20 0.55
GRM1 Q13255 11/20 0.55
PDK4 Q16654 1/20 0.53
PDE10A Q9Y233 1/20 0.48
SCN9A Q15858 1/20 0.47
JAK1 P23458 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL5749286 0.93 HTR6 (0.52) HTR6GRM5GRM1PDK4PDE10A
SCHEMBL5750065 0.84 ELANE (0.45) JAK1
SCHEMBL38663138 0.83 PDK4 (0.55) HTR6GRM5GRM1PDK4PDE10A
SCHEMBL12874666 0.83 GRM1 (0.49) HTR6GRM5GRM1PDK4PDE10A
SCHEMBL19297054 0.82 PDK4 (0.60) HTR6GRM5GRM1PDK4PDE10A
SCHEMBL17655532 0.81 PDK4 (0.61) HTR6GRM5GRM1PDK4PDE10A
SCHEMBL3723671 0.81 PDK4 (0.59) HTR6GRM5GRM1PDK4SCN9A
SCHEMBL15951022 0.81 PDK4 (0.60) HTR6GRM5GRM1PDK4PDE10A
SCHEMBL30676170 0.81 GRM5 (0.61) HTR6GRM5GRM1PDK4PDE10A
SCHEMBL2631187 0.81 GRM5 (0.61) HTR6GRM5GRM1PDK4PDE10A

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-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 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-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 HTR6 139/4885GRM5 230/4885GRM1 58/4885

“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.