SCHEMBL731832

SCHEMBL731832

[c]1cc(OC2CCOC2)nc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
PDE4D Q08499 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
FFAR2 O15552 2/20 0.33
GRM5 P41594 2/20 0.33
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LRRK2 Q5S007 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL731043 0.84 SLC6A2 (0.48) SLC6A2SLC6A4KCNH2KDM4EMEN1
SCHEMBL24989710 0.69 HRH1 (0.50) SLC6A2SLC6A4PDE4DPDE4APDE4B
SCHEMBL29041390 0.69 HRH1 (0.50) SLC6A2SLC6A4PDE4DPDE4APDE4B
SCHEMBL14795044 0.69 HRH1 (0.50) SLC6A2SLC6A4PDE4DPDE4APDE4B
SCHEMBL30315671 0.69 GRM5 (0.45) FFAR2GRM5LRRK2BRD4
SCHEMBL29794318 0.69 GRM5 (0.45) FFAR2GRM5LRRK2BRD4
SCHEMBL15075256 0.69 GRM5 (0.45) FFAR2GRM5LRRK2BRD4
SCHEMBL31143583 0.69 GRM5 (0.45) FFAR2GRM5LRRK2BRD4
SCHEMBL26806942 0.69 MAPT (0.49) FFAR2CNR1KDM4EMEN1KMT2A
SCHEMBL1201785 0.69 GRM5 (0.50) GRM5AKT1PIK3CAMTOR

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-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 SLC6A2 4584/4885SLC6A4 4521/4885KCNH2 388/4885

“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.