SCHEMBL565814

SCHEMBL565814

Brc1ccc2c(c1)OCCN2C1CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
PIK3CD O00329 4/20 0.37
PIK3CA P42336 4/20 0.37
PIK3CB P42338 4/20 0.37
PIK3CG P48736 4/20 0.37
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
STAT3 P40763 1/20 0.34
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 2/20 0.33
CYP2C9 P11712 1/20 0.33
PARP1 P09874 1/20 0.33
AVPR1A P37288 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL566036 0.82 LMNA (0.46) PIK3CDPIK3CAPIK3CBPIK3CGHTT
SCHEMBL30962052 0.81 NOTUM (0.42) SMN1; SMN2PIK3CDPIK3CBPIK3CGHTT
SCHEMBL2677083 0.81 DPP4 (0.40) SMN1; SMN2HTTSTAT3CYP2C19ALDH1A1
SCHEMBL1338153 0.80 LMNA (0.37) PIK3CDPIK3CAPIK3CBPIK3CGHTT
SCHEMBL565648 0.80 LMNA (0.37) PIK3CDPIK3CAPIK3CBPIK3CGHTT
SCHEMBL565840 0.79 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGHTT
SCHEMBL2676664 0.79 HTR2C (0.38) SMN1; SMN2HTTSTAT3CYP2C19ALDH1A1
SCHEMBL27265633 0.72 NPC1 (0.34) SMN1; SMN2ALDH1A1PARP1
SCHEMBL30962064 0.70 NOTUM (0.48) LMNACYP2C19ALDH1A1CYP2C9PARP1
SCHEMBL30962073 0.69 PIK3CD (0.38) PIK3CDPIK3CBPIK3CGPARP1AVPR1A

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 11 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-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-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
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 SMN1; SMN2 2455/4885PIK3CD 1731/4885PIK3CA 2746/4885
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM5, GRIA2 SMN1; SMN2 2044/4885PIK3CD 1584/4885PIK3CA 2527/4885

“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.