SCHEMBL13728802

SCHEMBL13728802

CC(C)c1ncc(-c2ccnnc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
WNT3A P56704 5/20 0.33
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 1/20 0.32
ROCK1 Q13464 1/20 0.32
ABL1 P00519 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL21937417 0.79 MAPT (0.48) AAK1CYP3A4
SCHEMBL13728814 0.78 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13750511 0.77 WNT3A (0.38) WNT3AABL1S1PR1S1PR3
SCHEMBL20743619 0.75 LOXL2 (0.43) AAK1WNT3ACYP3A4ABL1S1PR1
SCHEMBL21938389 0.74 CYP2A6 (0.58) CYP3A4
SCHEMBL14087358 0.72 RAB9A (0.54)
SCHEMBL26818530 0.71 HPGDS (0.48) WNT3AABL1
SCHEMBL888944 0.71 EGLN1 (0.42)
SCHEMBL25959755 0.71 NPSR1 (0.43)
SCHEMBL19105604 0.71 S1PR1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R PSEN1 3136/4885PSEN2 3402/4885APH1B 3283/4885

“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.