SCHEMBL4183541

SCHEMBL4183541

N#Cc1ccnc(N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
DPP4 P27487 1/20 0.51
HTR7 P34969 1/20 0.46
MAP3K12 Q12852 2/20 0.45
CSF1R P07333 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
PANK3 Q9H999 1/20 0.45
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
MGLL Q99685 2/20 0.44
MALT1 Q9UDY8 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
PARP1 P09874 1/20 0.42
TNK2 Q07912 1/20 0.42
TNK1 Q13470 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL20064451 0.82 PANK3 (0.49) HRH3DPP4HTR7MAP3K12PANK3
SCHEMBL31472951 0.82 CNR2 (0.51) HRH3DPP4HTR7MAP3K12PANK3
SCHEMBL17371895 0.82 CNR2 (0.51) HRH3DPP4HTR7MAP3K12PANK3
SCHEMBL5093360 0.82 DPP4 (0.52) HRH3DPP4HTR7MAP3K12PANK3
SCHEMBL4168208 0.81 HRH3 (0.47) HRH3HRH4
SCHEMBL3453143 0.80 DPP4 (0.53) HRH3DPP4HTR7PANK3HCRTR1
SCHEMBL2825721 0.79 HRH3 (0.55) HRH3DPP4HTR7PANK3PARP1
SCHEMBL20064100 0.78 HRH3 (0.51) HRH3DPP4HTR7PANK3HCRTR1
SCHEMBL15014494 0.78 HRH3 (0.54) HRH3DPP4HTR7PANK3HCRTR1
SCHEMBL10268958 0.78 HRH4 (0.55) HRH3HTR7PANK3HRH4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612076-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES NETTEKOVEN MATTHIAS HEINRICH 2009-02-12 US disclosed
US-7456175-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-25 US disclosed
EP-1828134-B1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS HOFFMANN LA ROCHE (CH) 2008-10-29 EP disclosed
EP-1828134-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063718-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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 (2 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-20060135528-A1 Piperazinyl-pyridine derivatives HRH4, HRH3, H1-3 HRH3 2/4885DPP4 1039/4885HTR7 264/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 HRH3 2/4885DPP4 1039/4885HTR7 264/4885

“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.