SCHEMBL6047787

SCHEMBL6047787

CCCCN(CCCC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)nc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.37
PDE2A O00408 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
PDE7B Q9NP56 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
SCHEMBL6047779 0.87 PDE10A (0.35) PDE10A
SCHEMBL6047771 0.86 PDE10A (0.37) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL6047799 0.83 CYP1A2 (0.38)
SCHEMBL6047819 0.83 CYP1A2 (0.32)
SCHEMBL4316031 0.83 PDE10A (0.37) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL4310984 0.81 PDE10A (0.36) PDE10APDE5A
SCHEMBL4696223 0.81 MTNR1A (0.43)
SCHEMBL6047835 0.80 ROCK1 (0.38) PDE5A
SCHEMBL6047805 0.79 MTNR1A (0.41)
SCHEMBL6047806 0.79 ALDH1A1 (0.44)

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-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 PDE10A 464/4885PDE2A 282/4885PDE5A 238/4885

“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.