SCHEMBL4180910

SCHEMBL4180910

CCN1CCN(c2cc(N)ccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
RAD52 P43351 3/20 0.51
MAPT P10636 2/20 0.51
GFER P55789 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
OPRD1 P41143 6/20 0.47
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 2/20 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
SCHEMBL15345047 0.82 DRD4 (0.50) GAARAD52GRIN2DGRIN3BGRIN1
SCHEMBL2378294 0.81 HRH4 (0.60) GAARAD52MAPTGFERKDM4E
SCHEMBL30349346 0.81 HRH4 (0.60) GAARAD52MAPTGFERKDM4E
SCHEMBL18049108 0.81 LOXL2 (0.47) GAARAD52MAPTGFERKDM4E
SCHEMBL13279979 0.81 GRIN2D (0.47) GAAKDM4EGRIN2DGRIN3BCHRM1
SCHEMBL22792706 0.81 DRD2 (0.47) GAARAD52MAPTGFERKDM4E
SCHEMBL24215682 0.80 GRIN2D (0.46) KDM4EGRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL30412512 0.80 GRIN2D (0.46) KDM4EGRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL1811254 0.79 GRIN2D (0.57) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL465754 0.79 GRIN2D (0.57) GAAMAPTSMN1; SMN2GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101080392-B Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE 2010-05-05 CN disclosed
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
CN-101080392-A Piperazinyl pyridine derivatives as anti-obesity agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN 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 GAA 1999/4885RAD52 4555/4885MAPT 2843/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 GAA 1999/4885RAD52 4555/4885MAPT 2843/4885

“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.