SCHEMBL5509404

SCHEMBL5509404

COc1cc2ncnc(N3CC(Oc4cnc5ccccc5n4)C(O[Si](C)(C)C(C)(C)C)C3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.64
PDE3A Q14432 8/20 0.64
PDE3B Q13370 7/20 0.64
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
KIT P10721 1/20 0.45

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
SCHEMBL5994058 0.88 PDE10A (0.72) PDE10APDE3APDE3BACHEBACE1
SCHEMBL4397682 0.85 PDE10A (0.69) PDE10APDE3APDE3BACHEBACE1
SCHEMBL5513778 0.85 PDE10A (0.69) PDE10APDE3APDE3BACHEBACE1
Tetrahydrofuran SCHEMBL4409536 0.84 PDE10A (0.64) PDE10APDE3APDE3BACHEBACE1
SCHEMBL4411881 0.84 PDE10A (0.66) PDE10APDE3APDE3BACHEBACE1
SCHEMBL4403831 0.83 PDE10A (0.67) PDE10APDE3APDE3BACHEBACE1
SCHEMBL4411887 0.83 PDE10A (0.67) PDE10APDE3APDE3BACHEBACE1
SCHEMBL4401301 0.82 PDE10A (0.68) PDE10APDE3APDE3BACHEBACE1
SCHEMBL4397080 0.82 PDE10A (0.65) PDE10APDE3APDE3BACHEBACE1
SCHEMBL4401287 0.81 PDE10A (0.65) PDE10APDE3APDE3BACHEBACE1

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-1838702-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Pfizer Products Inc. (US) 2007-10-03 EP disclosed
US-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PFIZER INC 2006-08-17 US disclosed
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 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-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PDE12, PDE4A, PDE7A PDE10A 9/4885PDE3A 10/4885PDE3B 16/4885

“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.