SCHEMBL565972

SCHEMBL565972

CC1(O)CCC(n2ccc3cc(Br)ccc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
KRAS P01116 2/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A2 P23975 1/20 0.35
NOS3 P29474 4/20 0.34
NOS1 P29475 4/20 0.34
NOS2 P35228 4/20 0.34
KCNH2 Q12809 1/20 0.33
FABP3 P05413 1/20 0.33
FABP2 P12104 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
MCL1 Q07820 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
SCHEMBL10064859 1.00 HTR7 (0.38) HTR7HTR2AHTR2COPRM1OPRD1
SCHEMBL10064857 1.00 HTR7 (0.38) HTR7HTR2AHTR2COPRM1OPRD1
SCHEMBL14647146 0.84 TFPI2 (0.38) HTR7HTR2AHTR2COPRM1OPRD1
SCHEMBL18939739 0.81 HTR7 (0.49) HTR7HTR2AHTR2COPRM1OPRD1
SCHEMBL565845 0.80 GRM2 (0.42) HTR7HTR2AHTR2COPRM1OPRD1
SCHEMBL10064856 0.80 GRM2 (0.42) HTR7HTR2AHTR2COPRM1OPRD1
SCHEMBL10064858 0.80 GRM2 (0.42) HTR7HTR2AHTR2COPRM1OPRD1
SCHEMBL566179 0.80 SMN1; SMN2 (0.36) HTR7HTR2AHTR2CDRD2SLC6A4
SCHEMBL22439524 0.79 HTR7 (0.48) HTR7HTR2AHTR2CDRD2SLC6A4
SCHEMBL2264672 0.78 NOS3 (0.48) HTR7HTR2AHTR2COPRM1OPRD1

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 7 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
CN-102186477-B Indole and benzomorpholine derivatives as modulators of metabotropic glutamate receptors ORTHO MCNEIL JANSSEN PHARM 2013-07-17 CN 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
CN-102232074-A Indole and benzoxazine derivatives as modulators of metabotropic glutamate receptors ORTHO MCNEIL JANSSEN PHARM 2011-11-02 CN disclosed
CN-102186477-A Indole and benzomorpholine derivatives as modulators of metabotropic glutamate receptors ORTHO MCNEIL JANSSEN PHARM 2011-09-14 CN 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 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.