SCHEMBL1336795

SCHEMBL1336795

CC(C)CCn1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.45
MAPK14 Q16539 1/20 0.37
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL1039551 0.84 GRM2 (0.42) GRM2MAPK14DRD2DRD1DRD4
SCHEMBL171794 0.82 GRM2 (0.61) GRM2
SCHEMBL2186985 0.77 GRM2 (0.46) GRM2MAPK14DRD2DRD1DRD4
SCHEMBL15180976 0.65 P2RX3 (0.41) MAPK14DRD2DRD1DRD4DRD5
SCHEMBL4381716 0.65 MAPK14 (0.62) MAPK14
SCHEMBL12074950 0.64 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL28115604 0.63 DRD2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL171728 0.62 GRM2 (0.69) GRM2
SCHEMBL16895310 0.62 SMN1; SMN2 (0.49)
SCHEMBL20540002 0.62 DRD2 (0.44) DRD2DRD1DRD4DRD5DRD3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346505-B1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-04-23 EP disclosed
EP-2346505-B1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-04-23 EP disclosed
US-8697689-B2 Indole and benzomorpholine derivatives as modulators of metabotropic glutamate receptors Janssen Pharmaceuticals, Inc. (US) 2014-04-15 US disclosed
US-20110275624-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. 2011-11-10 US disclosed
US-20110275624-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. 2011-11-10 US disclosed
US-20110275624-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. 2011-11-10 US disclosed
EP-2346505-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2011-07-27 EP disclosed
WO-2010043396-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed
WO-2010043396-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-04-22 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-20110275624-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM1, GRM5 GRM2 1/4885MAPK14 2235/4885DRD2 108/4885

“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.