SCHEMBL2993340

SCHEMBL2993340

O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 20/20 1.00
▸ PDE1C Q14123 3/20 1.00
▸ ACHE P22303 1/20 0.62

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
SCHEMBL12401293 0.99 PDE9A (0.98) PDE9APDE1CACHE
SCHEMBL7886962 0.91 PDE9A (0.83) PDE9APDE1CACHE
SCHEMBL7885787 0.90 PDE9A (1.00) PDE9APDE1C
SCHEMBL7879217 0.89 PDE9A (0.80) PDE9APDE1CACHE
SCHEMBL15417291 0.89 PDE9A (0.80) PDE9APDE1CACHE
SCHEMBL7884925 0.89 PDE9A (0.80) PDE9APDE1CACHE
SCHEMBL15417290 0.89 PDE9A (0.80) PDE9APDE1C
SCHEMBL6369604 0.88 PDE9A (0.78) PDE9APDE1C
SCHEMBL2111034 0.88 PDE9A (0.78) PDE9APDE1C
SCHEMBL12401089 0.88 PDE9A (0.78) PDE9APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 — — US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 — — US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 — — EP disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 — — US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 — — US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 — — 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 (3 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-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A PDE9A 1/4885PDE1C 28/4885ACHE 26/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A PDE9A 1/4885PDE1C 28/4885ACHE 26/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A PDE9A 1/4885PDE1C 28/4885ACHE 26/4885

“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.

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