SCHEMBL7889387

SCHEMBL7889387

c1cnc(O[C@H]2CCNC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
PRKCZ Q05513 1/20 0.45
HTR1A P08908 2/20 0.44
SLC6A2 P23975 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL4102786 1.00 CHRNB2 (0.54) CHRNB2CHRNA4PRKCZHTR1ASLC6A2
SCHEMBL759186 0.88 HRH1 (0.52) CHRNB2CHRNA4HTR1ASLC6A2IRAK4
Hydrochloric Acid SCHEMBL4105363 0.87 CHRNB2 (0.55) CHRNB2CHRNA4HTR1ASLC6A2CHRM1
Hydrochloric Acid SCHEMBL4103704 0.87 CHRNB2 (0.55) CHRNB2CHRNA4HTR1ASLC6A2CHRM1
Hydrochloric Acid SCHEMBL4713264 0.86 HRH1 (0.50) CHRNB2CHRNA4HTR1ASLC6A2IRAK4
Hydrochloric Acid SCHEMBL2447452 0.86 HRH1 (0.50) CHRNB2CHRNA4HTR1ASLC6A2IRAK4
Trifluoroacetic Acid SCHEMBL2994521 0.85 CHRNB2 (0.43) CHRNB2CHRNA4PRKCZHTR1ASLC6A2
SCHEMBL2264567 0.84 SLC6A2 (0.40) CHRNB2CHRNA4HTR1ASLC6A2CHRM1
Hydrochloric Acid SCHEMBL14861614 0.82 SLC6A4 (0.39) CHRNB2CHRNA4HTR1ASLC6A2CHRM1
SCHEMBL23830992 0.80 CHRNB2 (0.46) CHRNB2CHRNA4PRKCZHTR1ASLC6A2

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
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 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-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-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
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (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 CHRNB2 170/4885CHRNA4 161/4885PRKCZ 257/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A CHRNB2 170/4885CHRNA4 161/4885PRKCZ 257/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A CHRNB2 170/4885CHRNA4 161/4885PRKCZ 257/4885

“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.