SCHEMBL1338153

SCHEMBL1338153

O[C@H]1CC[C@H](N2CCOc3cc(Br)ccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
PIK3CD O00329 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CG P48736 4/20 0.36
ADRA2A P08913 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1F P30939 1/20 0.34
AGTR2 P50052 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
AVPR1A P37288 1/20 0.30
AVPR1B P47901 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
SCHEMBL565648 1.00 LMNA (0.37) LMNAMAPTHTTBLMPIK3CD
SCHEMBL566036 0.86 LMNA (0.46) LMNAMAPTHTTBLMPIK3CD
SCHEMBL14647199 0.83 MEN1 (0.37) LMNAMAPTPIK3CDPIK3CAPIK3CB
SCHEMBL565840 0.82 PIK3CD (0.43) LMNAMAPTHTTBLMPIK3CD
SCHEMBL565814 0.80 SMN1; SMN2 (0.38) LMNAMAPTHTTBLMPIK3CD
SCHEMBL12129039 0.75 HTR1A (0.32) HTR1AHTR1DHTR1FAVPR1AAVPR1B
SCHEMBL7906093 0.75 HTR1A (0.32) HTR1AHTR1DHTR1FAVPR1AAVPR1B
SCHEMBL31392972 0.75 MAPT (0.41) MAPTHTTHTR1AHTR1DHTR1F
SCHEMBL1555160 0.71 NOTUM (0.47) LMNAMAPTHTTHTR1AHTR1D
SCHEMBL31392999 0.69 ALDH1A1 (0.45) LMNAHTTPIK3CDPIK3CAPIK3CB

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 6 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-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-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 (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-20110275624-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM1, GRM5 LMNA 4513/4885MAPT 1569/4885HTT 1097/4885

“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.