SCHEMBL7906093

SCHEMBL7906093

CC1(C)OB(c2ccc3c(c2)OCCN3C2CCC(O)CC2)OC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1F P30939 1/20 0.32
ROCK1 Q13464 1/20 0.31
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
HIF1A Q16665 1/20 0.31
AVPR1A P37288 1/20 0.30
AVPR1B P47901 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL12129039 1.00 HTR1A (0.32) HTR1AHTR1DHTR1FROCK1LPL
SCHEMBL2839072 0.88 AVPR1A (0.32) HTR1AHTR1DHTR1FLPLLIPG
SCHEMBL14647199 0.78 MEN1 (0.37) HTR1AHTR1DHTR1FAVPR1AAVPR1B
SCHEMBL426125 0.76 CYP11B1 (0.47) LPLLIPG
SCHEMBL565648 0.75 LMNA (0.37) HTR1AHTR1DHTR1FAVPR1AAVPR1B
SCHEMBL12130905 0.74 AVPR1A (0.30) AVPR1AAVPR1B
SCHEMBL23962763 0.74 KRAS (0.33) ROCK1LPLLIPG
SCHEMBL31430454 0.74 KRAS (0.33) ROCK1LPLLIPG
SCHEMBL24610257 0.73 LPL (0.39) ROCK1LPLLIPG
SCHEMBL12327212 0.71 CYP11B1 (0.43)

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
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
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
WO-2010060589-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-06-03 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-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM5, GRIA2 HTR1A 58/4885HTR1D 87/4885HTR1F 125/4885

“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.