SCHEMBL4409528

SCHEMBL4409528

COc1cc2nncc(N3CC(Oc4ccc5ccccc5n4)C(N4CCCC4)C3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.48
PDGFRB P09619 1/20 0.40
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
STAT6 P42226 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR2 O43614 1/20 0.34
NTSR1 P30989 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PAX8 Q06710 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4407177 0.93 PDE10A (0.46) PDE10APDGFRBPDE3BPDE3ANPC1
SCHEMBL4397047 0.90 PDE10A (0.49) PDE10APDGFRBPDE3BPDE3AKDM4E
SCHEMBL4405021 0.84 PDE10A (0.49) PDE10APDGFRBPDE3BPDE3ANPC1
SCHEMBL4403815 0.82 PDE10A (0.47) PDE10APDGFRBPDE3BPDE3A
SCHEMBL4399116 0.82 PDE10A (0.47) PDE10APDGFRBPDE3BPDE3ANPC1
SCHEMBL4410838 0.81 PDE10A (0.47) PDE10APDGFRBPDE3BPDE3ANTSR1
SCHEMBL4410835 0.81 PDE10A (0.46) PDE10APDGFRBPDE3BPDE3AKMT2A
SCHEMBL16371462 0.76 PDE10A (0.40) PDE10APDGFRBPDE3BPDE3A
SCHEMBL4401301 0.73 PDE10A (0.68) PDE10APDE3BPDE3A
SCHEMBL16370914 0.72 PDE10A (0.38) PDE10APDGFRBPDE3BPDE3A

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 10 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-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression UNIVERSITY OF SOUTH ALABAMA (US) 2018-08-07 US disclosed
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION UNIVERSITY OF SOUTH ALABAMA (US) 2016-05-26 US disclosed
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PFIZER INC. 2009-06-25 US 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 (4 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-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression PDE4A, PDE7B, PDE2A PDE10A 12/4885PDGFRB 603/4885PDE3B 8/4885
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
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION PDE4A, PDE7B, PDE2A PDE10A 12/4885PDGFRB 603/4885PDE3B 8/4885

“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.