SCHEMBL4136168

SCHEMBL4136168

CNC/C=C/Cc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
CHRNA7 P36544 3/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
EPHX2 P34913 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19593180 0.81 CHRNB2 (0.50) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL10843187 0.79 CHRNA7 (0.52) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL27982323 0.79 CHRNA7 (0.52) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL28017048 0.78 NAPRT (0.47) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL4430706 0.77 MAOB (0.68) CYP2D6MEN1KMT2AL3MBTL1
SCHEMBL10421646 0.76 CHRNA7 (0.52) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL27533556 0.76 NAPRT (0.48) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL6158142 0.76 CYP1A2 (0.48) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL27533915 0.76 NAPRT (0.48) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7
SCHEMBL1582780 0.75 CHRNB2 (0.55) CYP2D6CYP1A2CHRNB2CHRNA4CHRNA7

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-20090227562-A1 Combination of a Selective Noradrenaline Reuptake Unhibitor and a PDEV Inhibitor PFIZER INC. (US) 2009-09-10 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-20090227562-A1 Combination of a Selective Noradrenaline Reuptake Unhibitor and a PDEV Inhibitor PDE4A, PDE12, PDE4B CYP2D6 502/4885CYP1A2 560/4885CHRNB2 96/4885

“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.