SCHEMBL6352020

SCHEMBL6352020

COc1ccc(C2(C#N)CC2)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.55
PDE4A P27815 11/20 0.48
PDE4C Q08493 11/20 0.48
PDE4D Q08499 11/20 0.48
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
LMNA P02545 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL6352103 0.95 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DHSD17B10
SCHEMBL1465431 0.92 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DSIRT2
SCHEMBL17106559 0.90 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL20028131 0.87 SMN1; SMN2 (0.48) PDE4BPDE4APDE4CPDE4DHSD17B10
SCHEMBL20028829 0.83 SMN1; SMN2 (0.45) PDE4BHSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL28665078 0.82 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL77276 0.82 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL3165771 0.81 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DMAPK1
SCHEMBL21874188 0.79 S1PR5 (0.40) PDE4B
SCHEMBL13526248 0.77 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 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-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 PDE4B 815/4885PDE4A 897/4885PDE4C 1030/4885

“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.