SCHEMBL2839072

SCHEMBL2839072

CC1(C)OB(c2ccc3c(c2)OCCN3C2CCOCC2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.32
LPL P06858 4/20 0.32
LIPG Q9Y5X9 4/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1F P30939 1/20 0.31
AVPR1B P47901 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL7906093 0.88 HTR1A (0.32) AVPR1ALPLLIPGHTR1AHTR1D
SCHEMBL12129039 0.88 HTR1A (0.32) AVPR1ALPLLIPGHTR1AHTR1D
SCHEMBL12130905 0.85 AVPR1A (0.30) AVPR1AAVPR1B
SCHEMBL16934779 0.79 HTR2C (0.37) LPLLIPGIDO1TDO2NOS3
SCHEMBL426125 0.78 CYP11B1 (0.47) LPLLIPGIDO1TDO2
SCHEMBL14647203 0.77 CHRM2 (0.38) AVPR1AHTR1AHTR1DHTR1FAVPR1B
SCHEMBL23962763 0.75 KRAS (0.33) LPLLIPG
SCHEMBL31430454 0.75 KRAS (0.33) LPLLIPG
SCHEMBL24610257 0.75 LPL (0.39) LPLLIPGNOS3NOS1
SCHEMBL24629797 0.74 GAA (0.45) AVPR1AHTR1AHTR1DHTR1FNOS3

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 12 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-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-2373649-B1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-01-23 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-20110275624-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. 2011-11-10 US 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-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 AVPR1A 326/4885LPL 3663/4885LIPG 4342/4885
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM5, GRIA2 AVPR1A 581/4885LPL 4185/4885LIPG 4598/4885

“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.