SCHEMBL354519

SCHEMBL354519

Cc1noc(-c2ccc(N3CCNCC3)c(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.52
TP53 P04637 2/20 0.48
TBK1 Q9UHD2 2/20 0.42
IKBKE Q14164 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 3/20 0.40
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
HTR6 P50406 2/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR5A P47898 1/20 0.40
HTR2C P28335 1/20 0.40
CSF1R P07333 1/20 0.39
CDK4 P11802 1/20 0.39
CDK6 Q00534 1/20 0.39
OPRL1 P41146 1/20 0.39
MAPT P10636 1/20 0.39

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
Hydrochloric Acid SCHEMBL355157 0.99 NPY2R (0.52) NPY2RTP53TBK1IKBKEACHE
SCHEMBL354800 0.83 TP53 (0.47) NPY2RTP53TBK1IKBKEACHE
SCHEMBL8226429 0.80 L3MBTL1 (0.46) NPY2RTP53POLBCSF1RCDK4
SCHEMBL354865 0.77 GPR119 (0.55) NPY2RTP53TBK1IKBKEMAPT
SCHEMBL5211726 0.76 NPY2R (0.49) NPY2RTP53TBK1POLBMAPT
SCHEMBL4031218 0.76 NPY2R (0.51) NPY2RTP53TBK1POLB
Hydrochloric Acid SCHEMBL5216190 0.75 NPY2R (0.49) NPY2RTP53TBK1POLBMAPT
SCHEMBL8220996 0.75 POLB (0.50) TP53POLBHTR7CSF1RCDK4
SCHEMBL12112410 0.73 ACHE (0.54) TP53ACHEHTR1AHTR2CMAPT
SCHEMBL3577363 0.73 NOTUM (0.46) HTR1AHTR7HTR2BHTR6OPRL1

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 2 patents. 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
WO-2009079593-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 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 (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 NPY2R 1/4885TP53 4398/4885TBK1 3841/4885

“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.