SCHEMBL2722697

SCHEMBL2722697

c1ccc2nc(OC3CCNC3)cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
PRKCZ Q05513 5/20 0.47
MKNK1 Q9BUB5 1/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2723948 1.00 CHRNB2 (0.48) CHRNB2CHRNA4PRKCZMKNK1HTT
SCHEMBL17123792 0.88 HTT (0.49) HTTALDH1A1HTR1ASLC6A2PDE3B
Hydrochloric Acid SCHEMBL14861677 0.86 HTT (0.47) HTTALDH1A1HTR1ASLC6A2PDE3B
SCHEMBL5464152 0.81 CHRNB2 (0.49) CHRNB2CHRNA4PRKCZMKNK1HTR1A
Hydrochloric Acid SCHEMBL5463046 0.79 CHRNB2 (0.48) CHRNB2CHRNA4PRKCZMKNK1HTR1A
SCHEMBL5516149 0.78 HTT (0.45) HTTALDH1A1PDE3BPDE3APDE10A
SCHEMBL23791579 0.76 CHRNB2 (0.43) CHRNB2CHRNA4PRKCZMKNK1
SCHEMBL29994416 0.75 CHRNB2 (0.53) CHRNB2CHRNA4PRKCZMKNK1HTR1A
SCHEMBL3655274 0.75 CHRNB2 (0.53) CHRNB2CHRNA4PRKCZMKNK1HTR1A
SCHEMBL2269304 0.75 CHRNB2 (0.53) CHRNB2CHRNA4PRKCZMKNK1HTR1A

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 11 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
WO-2006070284-A1 PYRROLIDYL DERIVATIVES OF HETEROAROMATIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-06 WO claimed
WO-2012052556-A1 NOVEL HALOALKOXYQUINAZOLINES, AND PREPARATION AND USE THEREOF UNIVERSITÄT LEIPZIG (DE) 2012-04-26 WO disclosed
WO-2012052556-A1 NOVEL HALOALKOXYQUINAZOLINES, AND PREPARATION AND USE THEREOF UNIVERSITÄT LEIPZIG (DE) 2012-04-26 WO 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-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-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 CHRNB2 615/4885CHRNA4 316/4885PRKCZ 570/4885
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PDE5A, PDE12, PDE2A CHRNB2 1581/4885CHRNA4 967/4885PRKCZ 233/4885

“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.