SCHEMBL805158

SCHEMBL805158

BN1CCN(C(=O)c2coc(Nc3ccc(OC)cc3)n2)C(COc2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
KCNH2 Q12809 1/20 0.48
DRD4 P21917 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL4015371 0.90 CHRNA7 (0.48) CHRNA7KCNH2DRD4DRD2DRD3
SCHEMBL781435 0.87 CHRNA7 (0.45) CHRNA7KCNH2DRD4DRD2DRD3
SCHEMBL777680 0.86 CHRNA7 (0.68) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL777960 0.85 KCNH2 (0.68) CHRNA7KCNH2
SCHEMBL799590 0.80 GPR119 (0.39) CHRNA7KCNH2
SCHEMBL782693 0.80 GPR119 (0.39) CHRNA7
SCHEMBL781330 0.78 CHRNA7 (0.55) CHRNA7KCNH2
SCHEMBL14346582 0.78 CHRNA7 (0.55) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779757 0.77 KCNH2 (0.56) CHRNA7KCNH2
SCHEMBL779891 0.74 CHRNA7 (0.66) CHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 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 (1 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-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 CHRNA7 1/4885KCNH2 465/4885DRD4 1089/4885

“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.