SCHEMBL356344

SCHEMBL356344

Cc1noc(-c2ccc(F)c(C#N)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
S1PR1 P21453 3/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
PDK2 Q15119 1/20 0.41
BCHE P06276 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
PGR P06401 2/20 0.40
SCARB1 Q8WTV0 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR1D P28221 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
SCHEMBL12586444 0.80 ACHE (0.54) ACHETP53MAPTS1PR1LMNA
SCHEMBL27436300 0.77 ACHE (0.60) ACHETP53MAPTS1PR1LMNA
SCHEMBL30955217 0.77 ACHE (0.60) ACHETP53MAPTS1PR1LMNA
SCHEMBL12057546 0.77 S1PR1 (0.56) ACHEMAPTS1PR1LMNABCHE
SCHEMBL22628894 0.77 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL12112410 0.76 ACHE (0.54) ACHETP53MAPTS1PR1LMNA
SCHEMBL4039087 0.75 ACHE (0.53) ACHETP53MAPTS1PR1LMNA
SCHEMBL1422717 0.75 CHRNB2 (0.73) TP53MAPTS1PR1CHRNB2CHRNA5
SCHEMBL30485552 0.75 GRM5 (0.65) TP53MAPTS1PR1LMNATRPV3
SCHEMBL10094740 0.74 ACHE (0.61) ACHETP53MAPTS1PR1LMNA

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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R ACHE 3246/4885TP53 4398/4885MAPT 3596/4885

“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.