SCHEMBL565952

SCHEMBL565952

O=C1CCC(n2ccc3cc(Br)ccc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.38
HTR2A P28223 4/20 0.36
HTR2C P28335 1/20 0.36
KDM4C Q9H3R0 3/20 0.35
DGAT1 O75907 2/20 0.34
KCNH2 Q12809 1/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
ROCK1 Q13464 1/20 0.34
SLC6A2 P23975 1/20 0.34
KRAS P01116 2/20 0.33
FABP4 P15090 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL18939739 0.84 HTR7 (0.49) HTR7HTR2AHTR2CKDM4CDGAT1
SCHEMBL22439524 0.83 HTR7 (0.48) HTR7HTR2AHTR2CKDM4CDGAT1
SCHEMBL10064858 0.80 GRM2 (0.42) HTR7HTR2AHTR2CKCNH2DRD2
SCHEMBL2266129 0.80 DGAT1 (0.43) HTR7HTR2AHTR2CKDM4CDGAT1
SCHEMBL10064856 0.80 GRM2 (0.42) HTR7HTR2AHTR2CKCNH2DRD2
SCHEMBL565845 0.80 GRM2 (0.42) HTR7HTR2AHTR2CKCNH2DRD2
SCHEMBL31611387 0.79 HTR7 (0.36) HTR7HTR2AHTR2CKDM4CKCNH2
SCHEMBL2264672 0.79 NOS3 (0.48) HTR7HTR2AHTR2CKCNH2DRD2
SCHEMBL27485366 0.78 CDC7 (0.38) HTR7HTR2AKDM4CCYP11B2
SCHEMBL31611505 0.77 HTR7 (0.39) HTR7HTR2AHTR2CKCNH2DRD2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946205-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946205-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946205-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
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-8691813-B2 Indole and benzoxazine derivatives as modulators of metabotropic glutamate receptors Janssen Pharmaceuticals, Inc. (US) 2014-04-08 US disclosed
US-8691813-B2 Indole and benzoxazine derivatives as modulators of metabotropic glutamate receptors Janssen Pharmaceuticals, Inc. (US) 2014-04-08 US disclosed
EP-2430031-B1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
EP-2430031-B1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-04-17 EP disclosed
EP-2430031-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals Inc. (US) 2012-03-21 EP disclosed
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Janssen Pharmaceuticals, Inc. 2012-02-09 US disclosed
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Janssen Pharmaceuticals, Inc. 2012-02-09 US disclosed
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Janssen Pharmaceuticals, Inc. 2012-02-09 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
WO-2010130422-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010060589-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-06-03 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 (2 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 HTR7 60/4885HTR2A 21/4885HTR2C 15/4885
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM5, GRIA2 HTR7 82/4885HTR2A 29/4885HTR2C 30/4885

“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.