SCHEMBL4611002

SCHEMBL4611002

COc1ccc(C(=O)C(=O)C2CC3CCC2C3)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
PDE4D Q08499 6/20 0.46
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4598670 0.70 PKM (0.49) ALOX15MEN1KMT2ATAS1R3TAS1R1
SCHEMBL10797184 0.70 KMT2A (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL13082597 0.70 TSHR (0.63) ALOX15MEN1KMT2ATAS1R3TAS1R1
SCHEMBL4598723 0.68 ALOX15 (0.41) ALOX15MEN1KMT2ATAS1R3TAS1R1
SCHEMBL2338247 0.68 TSHR (0.46) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL2422302 0.68 LTB4R (0.49) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1164664 0.68 ALOX15 (0.51) ALOX15TAS1R3TAS1R1RAB9A
SCHEMBL11577171 0.68 CYP1A2 (0.70) ALOX15TAS1R3TAS1R1
SCHEMBL4597865 0.68 CNR2 (0.46) ALOX15MEN1KMT2ATAS1R3TAS1R1
SCHEMBL30794670 0.68 KMT2A (0.61) KCNQ3KCNQ2KCNQ4KCNQ5MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910309-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-04-16 EP disclosed
WO-2007016012-A2 CYCLOALKYL AMINO-HYDANTOIN COMPOUNDS AND USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-02-08 WO disclosed
US-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation WYETH (US) 2007-02-01 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 (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-20070027199-A1 Cycloalkyl amino-hydantoin compounds and use thereof for beta-secretase modulation BACE1, BACE2, APP PDE4A 801/4885PDE4B 658/4885PDE4C 1070/4885

“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.