SCHEMBL2849211

SCHEMBL2849211

COc1ccc(OC)c2[nH]c(CCCCN)nc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
NQO2 P16083 1/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
HTR2A P28223 1/20 0.35
CACNA1H O95180 1/20 0.35
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL3664643 0.84 KDM4E (0.39) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL1012169 0.81 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL2840944 0.80 SMN1; SMN2 (0.45) NQO2CYP3A4CYP2D6HTR2ACACNA1H
SCHEMBL2269491 0.78 ADORA1 (0.50) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL5062073 0.76 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL8328517 0.74 PKM (0.41) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL2841387 0.72 L3MBTL4 (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL2543790 0.72 L3MBTL4 (0.38) PDE4APDE4BPDE4CPDE4DNOS1
SCHEMBL2840584 0.71 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL5924181 0.71 NQO2 (0.42) NQO2CYP3A4KDM4EATM

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-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A PDE4A 1507/4885PDE4B 1164/4885PDE4C 1873/4885

“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.