SCHEMBL4410835

SCHEMBL4410835

CCC(N)C1CN(c2cnnc3cc(OC)c(OC)cc23)CC1Oc1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.46
PDGFRB P09619 1/20 0.36
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
KMT2A Q03164 1/20 0.33
NTSR1 P30989 2/20 0.32

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
SCHEMBL4409537 0.90 PDE10A (0.46) PDE10APDGFRBPDE3BPDE3A
SCHEMBL4399116 0.83 PDE10A (0.47) PDE10APDGFRBPDE3BPDE3AKMT2A
SCHEMBL16371462 0.83 PDE10A (0.40) PDE10APDGFRBPDE3BPDE3A
SCHEMBL4410838 0.83 PDE10A (0.47) PDE10APDGFRBPDE3BPDE3ANTSR1
SCHEMBL4405021 0.82 PDE10A (0.49) PDE10APDGFRBPDE3BPDE3AKMT2A
SCHEMBL4409528 0.81 PDE10A (0.48) PDE10APDGFRBPDE3BPDE3AKMT2A
SCHEMBL4407177 0.79 PDE10A (0.46) PDE10APDGFRBPDE3BPDE3AKMT2A
SCHEMBL16370914 0.76 PDE10A (0.38) PDE10APDGFRBPDE3BPDE3A
SCHEMBL4413191 0.74 PDE10A (0.62) PDE10APDE3BPDE3A
SCHEMBL4397514 0.73 PDE10A (0.47) PDE10APDGFRBPDE3BPDE3ANTSR1

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 9 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 claimed
US-20060183763-A1 Novel pyrrolidyl derivatives of heteroaromatic compounds PFIZER INC 2006-08-17 US claimed
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 WO claimed
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PFIZER INC. 2009-06-25 US disclosed
EP-1838702-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Pfizer Products Inc. (US) 2007-10-03 EP disclosed
EP-1755611-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS Pfizer Products Inc. (US) 2007-02-28 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
WO-2005120514-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS PFIZER PRODUCTS INC. (US) 2005-12-22 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 (2 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 9/4885PDGFRB 1442/4885PDE3B 16/4885
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PDE5A, PDE12, PDE2A PDE10A 7/4885PDGFRB 2029/4885PDE3B 6/4885

“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.