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Sugi Predict / Compounds / SCHEMBL565945

SCHEMBL565945

SCHEMBL565945

CC1(O)CCC(n2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 10/20 0.33
▸ LIPG Q9Y5X9 10/20 0.33
▸ NOS3 P29474 4/20 0.33
▸ NOS1 P29475 4/20 0.33
▸ NOS2 P35228 4/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ BACE1 P56817 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
SCHEMBL565944 1.00 LPL (0.33) LPLLIPGNOS3NOS1NOS2
SCHEMBL566038 1.00 LPL (0.33) LPLLIPGNOS3NOS1NOS2
SCHEMBL31500593 0.90 LPL (0.38) LPLLIPGNOS3NOS1NOS2
SCHEMBL565362 0.87 GRM2 (0.39) LPLLIPGNOS3NOS1NOS2
SCHEMBL565431 0.87 GRM2 (0.39) LPLLIPGNOS3NOS1NOS2
SCHEMBL565363 0.87 GRM2 (0.39) LPLLIPGNOS3NOS1NOS2
SCHEMBL7861274 0.85 DGAT1 (0.38) LPLLIPGNOS3NOS1NOS2
SCHEMBL28669020 0.80 IRAK4 (0.42) LPLLIPGNOS3NOS1NOS2
SCHEMBL2188871 0.79 LPL (0.33) LPLLIPGIRAK4ROCK1
SCHEMBL14647146 0.78 TFPI2 (0.38) NOS3NOS1NOS2HTR2AHTR7

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 5 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
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-20110275624-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. 2011-11-10 — — US 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 LPL 3663/4885LIPG 4342/4885NOS3 2634/4885
US-20120035167-A1 INDOLE AND BENZOXAZINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM5, GRIA2 LPL 4185/4885LIPG 4598/4885NOS3 3438/4885

“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.